2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile

C15H26N2O — CID 54993404

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(CCO)C2CCCC2)C1
InChIInChI=1S/C15H26N2O/c1-12-6-7-13(11-16)15(10-12)17(8-9-18)14-4-2-3-5-14/h12-15,18H,2-10H2,1H3
InChIKeyCJEJAHCZDHHIQG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.55
Rot. Bonds4

About 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile

2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile (PubChem CID 54993404) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
PubChem CID54993404
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(CCO)C2CCCC2)C1
InChIInChI=1S/C15H26N2O/c1-12-6-7-13(11-16)15(10-12)17(8-9-18)14-4-2-3-5-14/h12-15,18H,2-10H2,1H3
InChIKeyCJEJAHCZDHHIQG-UHFFFAOYSA-N
XLogP2.55
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile (CID 54993404) is 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)C(N(CCO)C2CCCC2)C1.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is CJEJAHCZDHHIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-6-7-13(11-16)15(10-12)17(8-9-18)14-4-2-3-5-14/h12-15,18H,2-10H2,1H3.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 54993404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).