[(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine

C19H24N2 — CID 143810353

IUPAC[(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine
SMILESC=C1/C=C\C(C)C2=CC=CC(C)C2C2C1=CC=CN2CN
InChIInChI=1S/C19H24N2/c1-13-9-10-14(2)17-8-5-11-21(12-20)19(17)18-15(3)6-4-7-16(13)18/h4-11,13,15,18-19H,2,12,20H2,1,3H3/b10-9-
InChIKeyOCDXEIBJOYAHBT-KTKRTIGZSA-N
MW280.42 g/mol
LogP3.54
Rot. Bonds1

About [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine

[(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine (PubChem CID 143810353) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine.

Molecular Properties

Compound Name[(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine
PubChem CID143810353
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name[(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine
SMILESC=C1/C=C\C(C)C2=CC=CC(C)C2C2C1=CC=CN2CN
InChIInChI=1S/C19H24N2/c1-13-9-10-14(2)17-8-5-11-21(12-20)19(17)18-15(3)6-4-7-16(13)18/h4-11,13,15,18-19H,2,12,20H2,1,3H3/b10-9-
InChIKeyOCDXEIBJOYAHBT-KTKRTIGZSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine?
The IUPAC name of [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine (CID 143810353) is [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine.
What is the SMILES notation for [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine?
The canonical SMILES for [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine is C=C1/C=C\C(C)C2=CC=CC(C)C2C2C1=CC=CN2CN.
What is the InChIKey of [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine?
The InChIKey is OCDXEIBJOYAHBT-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H24N2/c1-13-9-10-14(2)17-8-5-11-21(12-20)19(17)18-15(3)6-4-7-16(13)18/h4-11,13,15,18-19H,2,12,20H2,1,3H3/b10-9-.
What are the key properties of [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine?
[(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9Z)-11,16-dimethyl-8-methylidene-3-azatricyclo[10.4.0.02,7]hexadeca-4,6,9,12,14-pentaen-3-yl]methanamine is sourced from PubChem (CID 143810353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).