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

4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
CID 11148845
2-(3-cyclopentylpropylamino)quinoline-4-carbonitrile
CID 106011499
2-bromo-6-(3-cyclopentylpropylamino)benzonitrile
CID 106011522
4-(3-cyclopentylpropylamino)-2-(trifluoromethyl)benzonitrile
CID 106011514
4-chloro-2-(3-cyclopropylpropylamino)benzonitrile
CID 115637534
4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile
CID 106128337
2-amino-3-(2-cyclopentylethylamino)benzonitrile
CID 104716387
2-(3-cyclopentylpropylamino)-6-ethylsulfanylbenzonitrile
CID 106011541
4-[2-(5-bromothiophen-2-yl)ethylamino]naphthalene-1-carbonitrile
CID 106035137
5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
CID 103736388
4-(3-cyclopropylpropylamino)-2-(trifluoromethyl)benzonitrile
CID 115637530
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
CID 106201503

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).