4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile

C17H18N2O — CID 106128337

IUPAC4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NCC2CCC(O)C2)c2ccccc12
InChIInChI=1S/C17H18N2O/c18-10-13-6-8-17(16-4-2-1-3-15(13)16)19-11-12-5-7-14(20)9-12/h1-4,6,8,12,14,19-20H,5,7,9,11H2
InChIKeyQXSVGDKSJQEQED-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.28
Rot. Bonds3

About 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile

4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile (PubChem CID 106128337) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile
PubChem CID106128337
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NCC2CCC(O)C2)c2ccccc12
InChIInChI=1S/C17H18N2O/c18-10-13-6-8-17(16-4-2-1-3-15(13)16)19-11-12-5-7-14(20)9-12/h1-4,6,8,12,14,19-20H,5,7,9,11H2
InChIKeyQXSVGDKSJQEQED-UHFFFAOYSA-N
XLogP3.28
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 103269778
4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile
CID 11514519
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 106136057
4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile
CID 106011557
4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
CID 103269781
2-[(3-hydroxycyclohexyl)methylamino]-4-methylbenzonitrile
CID 114147390
4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
CID 11148845
3-chloro-4-[(3-hydroxycyclohexyl)methylamino]benzonitrile
CID 114147400
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]naphthalene-1-carbonitrile
CID 106102266
2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 103878080
2-[(3-hydroxycyclobutyl)methylamino]-5-nitrobenzonitrile
CID 66006135
4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106129848

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile (CID 106128337) is 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile is N#Cc1ccc(NCC2CCC(O)C2)c2ccccc12.
What is the InChIKey of 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile?
The InChIKey is QXSVGDKSJQEQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-10-13-6-8-17(16-4-2-1-3-15(13)16)19-11-12-5-7-14(20)9-12/h1-4,6,8,12,14,19-20H,5,7,9,11H2.
What are the key properties of 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile?
4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile is sourced from PubChem (CID 106128337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).