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Chemical ID: 7102281
Chemical ID:
7102281
Name [?]:
N-(4-pyridylmethyl)butan-2-amine
SMILES [?]:
CCC(C)NCc1ccncc1
InChi [?]:
InChI=1/C10H16N2/c1-3-9(2)12-8-10-4-6-11-7-5-10/h4-7,9,12H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,8,12,9,11,6,3,7,10,5/E:(4,5)(6,7)/rA:12cCCCCNCCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2 |
All Atoms: | 28 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.27623 |
Area: | 356.757 |
Solvation: | -1.64268 |
Coulombic: | -13.8548 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 164.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.52 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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