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Chemical ID: 3963992
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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