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

C14H14N2O — CID 11148845

IUPAC4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NCCCO)c2ccccc12
InChIInChI=1S/C14H14N2O/c15-10-11-6-7-14(16-8-3-9-17)13-5-2-1-4-12(11)13/h1-2,4-7,16-17H,3,8-9H2
InChIKeyHCLFRXGPAMQQDD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.51
Rot. Bonds4

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

4-(3-hydroxypropylamino)naphthalene-1-carbonitrile (PubChem CID 11148845) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
PubChem CID11148845
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NCCCO)c2ccccc12
InChIInChI=1S/C14H14N2O/c15-10-11-6-7-14(16-8-3-9-17)13-5-2-1-4-12(11)13/h1-2,4-7,16-17H,3,8-9H2
InChIKeyHCLFRXGPAMQQDD-UHFFFAOYSA-N
XLogP2.51
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclopentylpropylamino)naphthalene-1-carbonitrile
CID 106011557
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
3-(3-hydroxypropylamino)-2-methylbenzonitrile
CID 130644755
5-(2-hydroxyethylamino)quinoline-8-carbonitrile
CID 14501167
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
4-[2-(5-bromothiophen-2-yl)ethylamino]naphthalene-1-carbonitrile
CID 106035137
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile
CID 106128337
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]naphthalene-1-carbonitrile
CID 106102266
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile
CID 11514519

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile?
The IUPAC name of 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile (CID 11148845) is 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile is N#Cc1ccc(NCCCO)c2ccccc12.
What is the InChIKey of 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile?
The InChIKey is HCLFRXGPAMQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-10-11-6-7-14(16-8-3-9-17)13-5-2-1-4-12(11)13/h1-2,4-7,16-17H,3,8-9H2.
What are the key properties of 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile?
4-(3-hydroxypropylamino)naphthalene-1-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)naphthalene-1-carbonitrile is sourced from PubChem (CID 11148845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).