N-(1-cyclopentylethylideneamino)-N-phenylaniline

C19H22N2 — CID 72504950

IUPACN-(1-cyclopentylethylideneamino)-N-phenylaniline
SMILESCC(=NN(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C19H22N2/c1-16(17-10-8-9-11-17)20-21(18-12-4-2-5-13-18)19-14-6-3-7-15-19/h2-7,12-15,17H,8-11H2,1H3
InChIKeySWCKXFDRMVMOPV-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.39
Rot. Bonds4

About N-(1-cyclopentylethylideneamino)-N-phenylaniline

N-(1-cyclopentylethylideneamino)-N-phenylaniline (PubChem CID 72504950) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-cyclopentylethylideneamino)-N-phenylaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethylideneamino)-N-phenylaniline
PubChem CID72504950
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-(1-cyclopentylethylideneamino)-N-phenylaniline
SMILESCC(=NN(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C19H22N2/c1-16(17-10-8-9-11-17)20-21(18-12-4-2-5-13-18)19-14-6-3-7-15-19/h2-7,12-15,17H,8-11H2,1H3
InChIKeySWCKXFDRMVMOPV-UHFFFAOYSA-N
XLogP5.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1,3-Diphenyl-4,5-dihydro-1H-pyrazole
CID 302304
3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
1H-Pyrazole, 4,5-dihydro-3-(4-methylphenyl)-1-phenyl-
CID 616747
1-Phenylethanone 2,2-diphenylhydrazone
CID 107456
CID 263125
CID 263125
4-[(1E)-1-(diphenylhydrazinylidene)ethyl]aniline
CID 9636482
1,5-Diphenyl-3-styryl-2-pyrazoline
CID 5379000
4,5-Dihydro-(1H)-pyrazole derivative, 2e
CID 11658734
3-methyl-1-phenyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)-4,5-dihydro-1H-pyrazole
CID 3129770
2-[(E)-[4-[[(5Z)-5-(diaminomethylidenehydrazinylidene)-3-methyl-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-ylidene]amino]guanidine
CID 24188368
5-Methyl-1,3,5-triphenyl-2-pyrazoline
CID 3124415
1H-Pyrazole, 4,5-dihydro-1,5-diphenyl-3-[(1E)-2-phenylethenyl]-
CID 629646

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethylideneamino)-N-phenylaniline?
The IUPAC name of N-(1-cyclopentylethylideneamino)-N-phenylaniline (CID 72504950) is N-(1-cyclopentylethylideneamino)-N-phenylaniline.
What is the SMILES notation for N-(1-cyclopentylethylideneamino)-N-phenylaniline?
The canonical SMILES for N-(1-cyclopentylethylideneamino)-N-phenylaniline is CC(=NN(c1ccccc1)c1ccccc1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethylideneamino)-N-phenylaniline?
The InChIKey is SWCKXFDRMVMOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-16(17-10-8-9-11-17)20-21(18-12-4-2-5-13-18)19-14-6-3-7-15-19/h2-7,12-15,17H,8-11H2,1H3.
What are the key properties of N-(1-cyclopentylethylideneamino)-N-phenylaniline?
N-(1-cyclopentylethylideneamino)-N-phenylaniline has a molecular weight of 278.40 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethylideneamino)-N-phenylaniline is sourced from PubChem (CID 72504950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).