N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine

C28H29N — CID 143792896

IUPACN-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine
SMILESC=CCC(CC=C)(C(=C)/C=C/c1ccccc1)c1c(NC)ccc2ccccc12
InChIInChI=1S/C28H29N/c1-5-20-28(21-6-2,22(3)16-17-23-12-8-7-9-13-23)27-25-15-11-10-14-24(25)18-19-26(27)29-4/h5-19,29H,1-3,20-21H2,4H3/b17-16+
InChIKeyGCLJIXSPXMEGSH-WUKNDPDISA-N
MW379.55 g/mol
LogP7.54
Rot. Bonds9

About N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine

N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine (PubChem CID 143792896) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine
PubChem CID143792896
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC NameN-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine
SMILESC=CCC(CC=C)(C(=C)/C=C/c1ccccc1)c1c(NC)ccc2ccccc12
InChIInChI=1S/C28H29N/c1-5-20-28(21-6-2,22(3)16-17-23-12-8-7-9-13-23)27-25-15-11-10-14-24(25)18-19-26(27)29-4/h5-19,29H,1-3,20-21H2,4H3/b17-16+
InChIKeyGCLJIXSPXMEGSH-WUKNDPDISA-N
XLogP7.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[(E)-2-methyl-1,5-diphenylpent-4-en-2-yl]naphthalen-2-amine
CID 143655801
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal
CID 10584199
1-[(1E)-1-(1,3-dimethyl-1-prop-2-enylbenzo[e]indol-2-ylidene)-3-methylhex-5-en-3-yl]-N-methylnaphthalen-2-amine
CID 143551533
[1-[[2-(3-phenylprop-2-enoyloxy)naphthalen-1-yl]methyl]naphthalen-2-yl] 3-phenylprop-2-enoate
CID 582973
1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine
CID 143792769
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
1-benzyl-N-methylnaphthalen-2-amine
CID 174703862
3-[[1-[(E)-5-anilino-2-methyl-3-methylidenepent-4-en-2-yl]naphthalen-2-yl]amino]propanoic acid
CID 145488800
[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
CID 155701401
3-methylidenehepta-1,5-dienylbenzene
CID 90998971

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine?
The IUPAC name of N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine (CID 143792896) is N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine.
What is the SMILES notation for N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine?
The canonical SMILES for N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine is C=CCC(CC=C)(C(=C)/C=C/c1ccccc1)c1c(NC)ccc2ccccc12.
What is the InChIKey of N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine?
The InChIKey is GCLJIXSPXMEGSH-WUKNDPDISA-N. The full InChI is InChI=1S/C28H29N/c1-5-20-28(21-6-2,22(3)16-17-23-12-8-7-9-13-23)27-25-15-11-10-14-24(25)18-19-26(27)29-4/h5-19,29H,1-3,20-21H2,4H3/b17-16+.
What are the key properties of N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine?
N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine has a molecular weight of 379.55 g/mol, XLogP of 7.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine is sourced from PubChem (CID 143792896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).