4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile

C19H22N2 — CID 106011557

IUPAC4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NCCCC2CCCC2)c2ccccc12
InChIInChI=1S/C19H22N2/c20-14-16-11-12-19(18-10-4-3-9-17(16)18)21-13-5-8-15-6-1-2-7-15/h3-4,9-12,15,21H,1-2,5-8,13H2
InChIKeyOSGZDLXLDMWVIH-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.09
Rot. Bonds5

About 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile

4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile (PubChem CID 106011557) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile
PubChem CID106011557
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NCCCC2CCCC2)c2ccccc12
InChIInChI=1S/C19H22N2/c20-14-16-11-12-19(18-10-4-3-9-17(16)18)21-13-5-8-15-6-1-2-7-15/h3-4,9-12,15,21H,1-2,5-8,13H2
InChIKeyOSGZDLXLDMWVIH-UHFFFAOYSA-N
XLogP5.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-1-Naphthylethylenediamine dihydrochloride
CID 15106
N-(1-Naphthyl)ethylenediamine
CID 15107
N-Ethyl-1-naphthalenamine
CID 67043
Fddnp F-18
CID 449685
2-(1-(6-((2-Fluoroethyl)(methyl)Amino)-2-naphthyl)ethylidene)malononitrile
CID 24858429
4-Amino-1-naphthalenecarbonitrile
CID 42828
4-[(2S)-2-ethylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68707555
4-[(2S)-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68707868
(2R)-1-(4-cyanonaphthalen-1-yl)pyrrolidine-2-carbonitrile
CID 68713946
Ethyl(2-naphthyl)amine
CID 75530
4,5-Bis(dimethylamino)naphthalene-1-carbonitrile
CID 2327119
2-(1-[6-(Dimethylamino)-2-naphthyl]ethylidene)malononitrile
CID 9903341

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile?
The IUPAC name of 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile (CID 106011557) is 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile is N#Cc1ccc(NCCCC2CCCC2)c2ccccc12.
What is the InChIKey of 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile?
The InChIKey is OSGZDLXLDMWVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c20-14-16-11-12-19(18-10-4-3-9-17(16)18)21-13-5-8-15-6-1-2-7-15/h3-4,9-12,15,21H,1-2,5-8,13H2.
What are the key properties of 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile?
4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile has a molecular weight of 278.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile is sourced from PubChem (CID 106011557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).