1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine

C33H36N2 — CID 145488822

IUPAC1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine
SMILESCCCNc1ccc2ccccc2c1C(C)(C/C=C/C=C/Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N2/c1-3-24-35-31-22-21-28-17-11-12-20-30(28)32(31)33(2,26-27-15-7-4-8-16-27)23-13-6-14-25-34-29-18-9-5-10-19-29/h4-22,25,34-35H,3,23-24,26H2,1-2H3/b13-6+,25-14+
InChIKeyVVTAMSIJMUCQHE-BCGXMOFRSA-N
MW460.67 g/mol
LogP8.73
Rot. Bonds11

About 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine

1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine (PubChem CID 145488822) has the molecular formula C33H36N2 and a molecular weight of 460.67 g/mol. Its IUPAC name is 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine
PubChem CID145488822
Molecular FormulaC33H36N2
Molecular Weight460.67 g/mol
Exact Mass460.29
IUPAC Name1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine
SMILESCCCNc1ccc2ccccc2c1C(C)(C/C=C/C=C/Nc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N2/c1-3-24-35-31-22-21-28-17-11-12-20-30(28)32(31)33(2,26-27-15-7-4-8-16-27)23-13-6-14-25-34-29-18-9-5-10-19-29/h4-22,25,34-35H,3,23-24,26H2,1-2H3/b13-6+,25-14+
InChIKeyVVTAMSIJMUCQHE-BCGXMOFRSA-N
XLogP8.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine
CID 145488846
1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine
CID 145488877
N-methyl-1-[(E)-2-methyl-1,5-diphenylpent-4-en-2-yl]naphthalen-2-amine
CID 143655801
3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal
CID 143968265
3-[[1-[(E)-5-anilino-2-methyl-3-methylidenepent-4-en-2-yl]naphthalen-2-yl]amino]propanoic acid
CID 145488800
N-(3-methylbutyl)-1-[(E)-2-methyl-7-methylidene-1-(5-methylthiophen-2-yl)-6-prop-2-enylundec-4-en-2-yl]naphthalen-2-amine
CID 143655807
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
N-propylaniline
CID 12153
2-[4-[2-methyl-2-[2-(methylamino)naphthalen-1-yl]butyl]phenyl]benzonitrile
CID 145488850
3-[[1-[(4E,6E,8E,10E)-10-(1,1-dimethyl-3-propylbenzo[e]indol-2-ylidene)-2-methyldeca-4,6,8-trien-2-yl]naphthalen-2-yl]amino]propanoic acid
CID 145337998
N-[(1E,3E)-6-[6-(2-diethoxyphosphanylethylamino)cyclohexa-1,5-dien-1-yl]-6-methylhepta-1,3-dienyl]aniline
CID 145493317

Frequently Asked Questions

What is the IUPAC name of 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine?
The IUPAC name of 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine (CID 145488822) is 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine.
What is the SMILES notation for 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine?
The canonical SMILES for 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine is CCCNc1ccc2ccccc2c1C(C)(C/C=C/C=C/Nc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine?
The InChIKey is VVTAMSIJMUCQHE-BCGXMOFRSA-N. The full InChI is InChI=1S/C33H36N2/c1-3-24-35-31-22-21-28-17-11-12-20-30(28)32(31)33(2,26-27-15-7-4-8-16-27)23-13-6-14-25-34-29-18-9-5-10-19-29/h4-22,25,34-35H,3,23-24,26H2,1-2H3/b13-6+,25-14+.
What are the key properties of 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine?
1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine has a molecular weight of 460.67 g/mol, XLogP of 8.73, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine is sourced from PubChem (CID 145488822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).