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Chemical ID: 4122322
Chemical ID:
4122322
Name [?]:
3-methoxy-N-(2-pyridylmethyl)propan-1-amine
SMILES [?]:
COCCCNCc1ccccn1
InChi [?]:
InChI=1/C10H16N2O/c1-13-8-4-6-11-9-10-5-2-3-7-12-10/h2-3,5,7,11H,4,6,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,4,9,5,12,3,7,8,6,13,2/rA:13nCOCCCNCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35981 |
Area: | 387.915 |
Solvation: | -3.33806 |
Coulombic: | -21.1867 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.54 |
LogP (Chemaxon): | 0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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