2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile

C15H26N2O — CID 55114616

IUPAC2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile
SMILESCC1CCCC(CO)(NC2CCCCC2C#N)C1
InChIInChI=1S/C15H26N2O/c1-12-5-4-8-15(9-12,11-18)17-14-7-3-2-6-13(14)10-16/h12-14,17-18H,2-9,11H2,1H3
InChIKeyOKQAHGGCWBJHEZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.60
Rot. Bonds3

About 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile

2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile (PubChem CID 55114616) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile
PubChem CID55114616
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile
SMILESCC1CCCC(CO)(NC2CCCCC2C#N)C1
InChIInChI=1S/C15H26N2O/c1-12-5-4-8-15(9-12,11-18)17-14-7-3-2-6-13(14)10-16/h12-14,17-18H,2-9,11H2,1H3
InChIKeyOKQAHGGCWBJHEZ-UHFFFAOYSA-N
XLogP2.60
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile (CID 55114616) is 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile is CC1CCCC(CO)(NC2CCCCC2C#N)C1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile?
The InChIKey is OKQAHGGCWBJHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-5-4-8-15(9-12,11-18)17-14-7-3-2-6-13(14)10-16/h12-14,17-18H,2-9,11H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile?
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 55114616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).