(2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride

C24H30ClN — CID 127044646

IUPAC(2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride
SMILESCN(C/C=C/C=C/c1ccccc1)Cc1ccc2c(c1)CCCCC2.Cl
InChIInChI=1S/C24H29N.ClH/c1-25(18-10-4-7-13-21-11-5-2-6-12-21)20-22-16-17-23-14-8-3-9-15-24(23)19-22;/h2,4-7,10-13,16-17,19H,3,8-9,14-15,18,20H2,1H3;1H/b10-4+,13-7+;
InChIKeyHWSXGIJQOQFYBV-DENHNWLZSA-N
MW367.96 g/mol
LogP6.08
Rot. Bonds6

About (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride

(2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride (PubChem CID 127044646) has the molecular formula C24H30ClN and a molecular weight of 367.96 g/mol. Its IUPAC name is (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name(2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride
PubChem CID127044646
Molecular FormulaC24H30ClN
Molecular Weight367.96 g/mol
Exact Mass367.21
IUPAC Name(2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride
SMILESCN(C/C=C/C=C/c1ccccc1)Cc1ccc2c(c1)CCCCC2.Cl
InChIInChI=1S/C24H29N.ClH/c1-25(18-10-4-7-13-21-11-5-2-6-12-21)20-22-16-17-23-14-8-3-9-15-24(23)19-22;/h2,4-7,10-13,16-17,19H,3,8-9,14-15,18,20H2,1H3;1H/b10-4+,13-7+;
InChIKeyHWSXGIJQOQFYBV-DENHNWLZSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.96
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride?
The IUPAC name of (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride (CID 127044646) is (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride.
What is the SMILES notation for (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride?
The canonical SMILES for (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride is CN(C/C=C/C=C/c1ccccc1)Cc1ccc2c(c1)CCCCC2.Cl.
What is the InChIKey of (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride?
The InChIKey is HWSXGIJQOQFYBV-DENHNWLZSA-N. The full InChI is InChI=1S/C24H29N.ClH/c1-25(18-10-4-7-13-21-11-5-2-6-12-21)20-22-16-17-23-14-8-3-9-15-24(23)19-22;/h2,4-7,10-13,16-17,19H,3,8-9,14-15,18,20H2,1H3;1H/b10-4+,13-7+;.
What are the key properties of (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride?
(2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride has a molecular weight of 367.96 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride is sourced from PubChem (CID 127044646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).