N-(cyclopentylideneamino)-N-phenylaniline

C17H18N2 — CID 15882992

IUPACN-(cyclopentylideneamino)-N-phenylaniline
SMILESc1ccc(N(N=C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-3-11-16(12-4-1)19(17-13-5-2-6-14-17)18-15-9-7-8-10-15/h1-6,11-14H,7-10H2
InChIKeyOCHCMOVVHSWPNQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.75
Rot. Bonds3

About N-(cyclopentylideneamino)-N-phenylaniline

N-(cyclopentylideneamino)-N-phenylaniline (PubChem CID 15882992) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-N-phenylaniline.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-N-phenylaniline
PubChem CID15882992
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC NameN-(cyclopentylideneamino)-N-phenylaniline
SMILESc1ccc(N(N=C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C17H18N2/c1-3-11-16(12-4-1)19(17-13-5-2-6-14-17)18-15-9-7-8-10-15/h1-6,11-14H,7-10H2
InChIKeyOCHCMOVVHSWPNQ-UHFFFAOYSA-N
XLogP4.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.75
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-(cyclopentylideneamino)-N-phenylaniline?
The IUPAC name of N-(cyclopentylideneamino)-N-phenylaniline (CID 15882992) is N-(cyclopentylideneamino)-N-phenylaniline.
What is the SMILES notation for N-(cyclopentylideneamino)-N-phenylaniline?
The canonical SMILES for N-(cyclopentylideneamino)-N-phenylaniline is c1ccc(N(N=C2CCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-N-phenylaniline?
The InChIKey is OCHCMOVVHSWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-11-16(12-4-1)19(17-13-5-2-6-14-17)18-15-9-7-8-10-15/h1-6,11-14H,7-10H2.
What are the key properties of N-(cyclopentylideneamino)-N-phenylaniline?
N-(cyclopentylideneamino)-N-phenylaniline has a molecular weight of 250.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-N-phenylaniline is sourced from PubChem (CID 15882992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).