Chemical ID: 3963992

CCCN1CCCC2C1Cc3c[nH]nc3C2
Chemical ID:
3963992
Name [?]:
None
SMILES [?]:
CCCN1CCCC2C1Cc3c[nH]nc3C2
InChi [?]:
InChI=1/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,3,5,16,10,12,8,11,15,9,13,14,4/rA:16cCCCNCCCCCCCCNNCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;d11;s12;s13;s11d14;s8s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:3
ZAP Information [?]
Total:7.78304
Area:389.52
Solvation:-1.95495
Coulombic:-13.9406
Bond Count [?]
All:18
Single:16
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.326
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.94
LogP (Chemaxon):2.02

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Experimental Annotations

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Descriptor Annotations

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