4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile

C17H18N2O — CID 11514519

IUPAC4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NC2CCC(O)CC2)c2ccccc12
InChIInChI=1S/C17H18N2O/c18-11-12-5-10-17(16-4-2-1-3-15(12)16)19-13-6-8-14(20)9-7-13/h1-5,10,13-14,19-20H,6-9H2
InChIKeyLHSZVXAHJSKAPR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.43
Rot. Bonds2

About 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile

4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile (PubChem CID 11514519) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile
PubChem CID11514519
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(NC2CCC(O)CC2)c2ccccc12
InChIInChI=1S/C17H18N2O/c18-11-12-5-10-17(16-4-2-1-3-15(12)16)19-13-6-8-14(20)9-7-13/h1-5,10,13-14,19-20H,6-9H2
InChIKeyLHSZVXAHJSKAPR-UHFFFAOYSA-N
XLogP3.43
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile (CID 11514519) is 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile is N#Cc1ccc(NC2CCC(O)CC2)c2ccccc12.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile?
The InChIKey is LHSZVXAHJSKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-11-12-5-10-17(16-4-2-1-3-15(12)16)19-13-6-8-14(20)9-7-13/h1-5,10,13-14,19-20H,6-9H2.
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile?
4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]naphthalene-1-carbonitrile is sourced from PubChem (CID 11514519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).