N-[(4-methylcyclohexylidene)amino]-N-phenylaniline

C19H22N2 — CID 4170053

IUPACN-[(4-methylcyclohexylidene)amino]-N-phenylaniline
SMILESCC1CCC(=NN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2/c1-16-12-14-17(15-13-16)20-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3/b20-17-
InChIKeyMQXNGSNTNQIQST-JZJYNLBNSA-N
MW278.40 g/mol
LogP5.39
Rot. Bonds3

About N-[(4-methylcyclohexylidene)amino]-N-phenylaniline

N-[(4-methylcyclohexylidene)amino]-N-phenylaniline (PubChem CID 4170053) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4-methylcyclohexylidene)amino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(4-methylcyclohexylidene)amino]-N-phenylaniline
PubChem CID4170053
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-[(4-methylcyclohexylidene)amino]-N-phenylaniline
SMILESCC1CCC(=NN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2/c1-16-12-14-17(15-13-16)20-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3/b20-17-
InChIKeyMQXNGSNTNQIQST-JZJYNLBNSA-N
XLogP5.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexylidene)amino]-N-phenylaniline?
The IUPAC name of N-[(4-methylcyclohexylidene)amino]-N-phenylaniline (CID 4170053) is N-[(4-methylcyclohexylidene)amino]-N-phenylaniline.
What is the SMILES notation for N-[(4-methylcyclohexylidene)amino]-N-phenylaniline?
The canonical SMILES for N-[(4-methylcyclohexylidene)amino]-N-phenylaniline is CC1CCC(=NN(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[(4-methylcyclohexylidene)amino]-N-phenylaniline?
The InChIKey is MQXNGSNTNQIQST-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H22N2/c1-16-12-14-17(15-13-16)20-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3/b20-17-.
What are the key properties of N-[(4-methylcyclohexylidene)amino]-N-phenylaniline?
N-[(4-methylcyclohexylidene)amino]-N-phenylaniline has a molecular weight of 278.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexylidene)amino]-N-phenylaniline is sourced from PubChem (CID 4170053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).