N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine

C29H30N2 — CID 174309284

IUPACN-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine
SMILESCc1c(NC(c2cccc(/C=N/Cc3ccccc3)c2)C(C)C)ccc2ccccc12
InChIInChI=1S/C29H30N2/c1-21(2)29(31-28-17-16-25-13-7-8-15-27(25)22(28)3)26-14-9-12-24(18-26)20-30-19-23-10-5-4-6-11-23/h4-18,20-21,29,31H,19H2,1-3H3/b30-20+
InChIKeyVZXIOQIBRWJTAK-TWKHWXDSSA-N
MW406.57 g/mol
LogP7.58
Rot. Bonds7

About N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine

N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine (PubChem CID 174309284) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine
PubChem CID174309284
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC NameN-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine
SMILESCc1c(NC(c2cccc(/C=N/Cc3ccccc3)c2)C(C)C)ccc2ccccc12
InChIInChI=1S/C29H30N2/c1-21(2)29(31-28-17-16-25-13-7-8-15-27(25)22(28)3)26-14-9-12-24(18-26)20-30-19-23-10-5-4-6-11-23/h4-18,20-21,29,31H,19H2,1-3H3/b30-20+
InChIKeyVZXIOQIBRWJTAK-TWKHWXDSSA-N
XLogP7.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine?
The IUPAC name of N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine (CID 174309284) is N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine.
What is the SMILES notation for N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine?
The canonical SMILES for N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine is Cc1c(NC(c2cccc(/C=N/Cc3ccccc3)c2)C(C)C)ccc2ccccc12.
What is the InChIKey of N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine?
The InChIKey is VZXIOQIBRWJTAK-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H30N2/c1-21(2)29(31-28-17-16-25-13-7-8-15-27(25)22(28)3)26-14-9-12-24(18-26)20-30-19-23-10-5-4-6-11-23/h4-18,20-21,29,31H,19H2,1-3H3/b30-20+.
What are the key properties of N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine?
N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine has a molecular weight of 406.57 g/mol, XLogP of 7.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(benzyliminomethyl)phenyl]-2-methylpropyl]-1-methylnaphthalen-2-amine is sourced from PubChem (CID 174309284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).