Chemical ID: 5054177

c1cnccc1CNCCN
Chemical ID:
5054177
Name [?]:
N-(4-pyridylmethyl)ethane-1,2-diamine
SMILES [?]:
c1cnccc1CNCCN
InChi [?]:
InChI=1/C8H13N3/c9-3-6-11-7-8-1-4-10-5-2-8/h1-2,4-5,11H,3,6-7,9H2
InChi Info:
AuxInfo=1/0/N:1,5,10,2,4,9,7,6,11,3,8/E:(1,2)(4,5)/rA:11nCCNCCCCNCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13N3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.45731
Area:337.642
Solvation:-1.98374
Coulombic:-25.3267
Bond Count [?]
All:11
Single:8
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.209
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:-0.49
LogP (Chemaxon):-0.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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