(12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine

C17H24N2 — CID 156515185

IUPAC(12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine
SMILESNC1CCCC2C3=C(C=CC2C1)/C=C\C/N=C\CC3
InChIInChI=1S/C17H24N2/c18-15-5-1-6-17-14(12-15)9-8-13-4-2-10-19-11-3-7-16(13)17/h2,4,8-9,11,14-15,17H,1,3,5-7,10,12,18H2/b4-2-,19-11-
InChIKeyAPMVMOGYNFXPEV-VFPJQFOFSA-N
MW256.39 g/mol
LogP3.41
Rot. Bonds

About (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine

(12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine (PubChem CID 156515185) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine.

Molecular Properties

Compound Name(12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine
PubChem CID156515185
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine
SMILESNC1CCCC2C3=C(C=CC2C1)/C=C\C/N=C\CC3
InChIInChI=1S/C17H24N2/c18-15-5-1-6-17-14(12-15)9-8-13-4-2-10-19-11-3-7-16(13)17/h2,4,8-9,11,14-15,17H,1,3,5-7,10,12,18H2/b4-2-,19-11-
InChIKeyAPMVMOGYNFXPEV-VFPJQFOFSA-N
XLogP3.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine?
The IUPAC name of (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine (CID 156515185) is (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine.
What is the SMILES notation for (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine?
The canonical SMILES for (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine is NC1CCCC2C3=C(C=CC2C1)/C=C\C/N=C\CC3.
What is the InChIKey of (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine?
The InChIKey is APMVMOGYNFXPEV-VFPJQFOFSA-N. The full InChI is InChI=1S/C17H24N2/c18-15-5-1-6-17-14(12-15)9-8-13-4-2-10-19-11-3-7-16(13)17/h2,4,8-9,11,14-15,17H,1,3,5-7,10,12,18H2/b4-2-,19-11-.
What are the key properties of (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine?
(12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine has a molecular weight of 256.39 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-15-azatricyclo[9.7.0.02,8]octadeca-1(11),9,12,15-tetraen-6-amine is sourced from PubChem (CID 156515185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).