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Chemical ID: 4663997
Chemical ID:
4663997
Name [?]:
2-methyl-N-(tetrahydrofuran-2-ylmethyl)propan-2-amine
SMILES [?]:
CC(C)(C)NCC1CCCO1
InChi [?]:
InChI=1/C9H19NO/c1-9(2,3)10-7-8-5-4-6-11-8/h8,10H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,8,10,6,7,2,5,11/E:(1,2,3)/rA:11cCCCCNCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H19NO |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.76632 |
Area: | 335.125 |
Solvation: | -2.61181 |
Coulombic: | -16.179 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 157.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.48 |
LogP (Chemaxon): | 0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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