ChemDB: Chemical Search
Download
Chemical ID: 4669439
Chemical ID:
4669439
Name [?]:
2,2-dimethyl-N-neopentyl-propan-1-amine
SMILES [?]:
CC(C)(C)CNCC(C)(C)C
InChi [?]:
InChI=1/C10H23N/c1-9(2,3)7-11-8-10(4,5)6/h11H,7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,10,11,5,7,2,8,6/E:(1,2,3,4,5,6)(7,8)(9,10)/rA:11nCCCCCNCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s8;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H23N |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31882 |
Area: | 350.816 |
Solvation: | -0.451579 |
Coulombic: | -10.8758 |
Bond Count [?]
All: | 10 |
Single: | 10 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 157.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.77 |
LogP (Chemaxon): | 3.23 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|