3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine

C23H18N2 — CID 154033384

IUPAC3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine
SMILES[H]/N=C(/C=C(N)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H18N2/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)15-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h1-15,24H,25H2/b23-15?,24-22-
InChIKeyVVJAVQXUTDLHGQ-KAVBBYSRSA-N
MW322.41 g/mol
LogP5.36
Rot. Bonds3

About 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine

3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine (PubChem CID 154033384) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine
PubChem CID154033384
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine
SMILES[H]/N=C(/C=C(N)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H18N2/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)15-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h1-15,24H,25H2/b23-15?,24-22-
InChIKeyVVJAVQXUTDLHGQ-KAVBBYSRSA-N
XLogP5.36
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-naphthalen-2-ylprop-1-en-1-amine
CID 21343656
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
(Z)-3-imino-3-(3-methylphenyl)-1-(3-methyl-4-propylphenyl)prop-1-en-1-amine
CID 155482813
(E,5E)-5-cyclohexa-2,4-dien-1-ylidene-1-naphthalen-2-ylpent-2-en-1-imine
CID 140662392
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
CID 162550833
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
(2-methylphenyl)-naphthalen-2-ylmethanimine
CID 44721075
(Z)-3-imino-3-phenyl-1-[3-(4-phenyl-4,25-diazaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.019,24]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),19,21,23,27-tridecaen-25-yl)phenyl]prop-1-en-1-amine
CID 142289839
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine?
The IUPAC name of 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine (CID 154033384) is 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine.
What is the SMILES notation for 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine?
The canonical SMILES for 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine is [H]/N=C(/C=C(N)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine?
The InChIKey is VVJAVQXUTDLHGQ-KAVBBYSRSA-N. The full InChI is InChI=1S/C23H18N2/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)15-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h1-15,24H,25H2/b23-15?,24-22-.
What are the key properties of 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine?
3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine has a molecular weight of 322.41 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1,3-dinaphthalen-2-ylprop-1-en-1-amine is sourced from PubChem (CID 154033384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).