2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile

C14H24N2O — CID 55114615

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile
SMILESCC1CCC(CO)(NC2CCCC2C#N)CC1
InChIInChI=1S/C14H24N2O/c1-11-5-7-14(10-17,8-6-11)16-13-4-2-3-12(13)9-15/h11-13,16-17H,2-8,10H2,1H3
InChIKeyGAIANRRMLGEFCQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds3

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile (PubChem CID 55114615) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile
PubChem CID55114615
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile
SMILESCC1CCC(CO)(NC2CCCC2C#N)CC1
InChIInChI=1S/C14H24N2O/c1-11-5-7-14(10-17,8-6-11)16-13-4-2-3-12(13)9-15/h11-13,16-17H,2-8,10H2,1H3
InChIKeyGAIANRRMLGEFCQ-UHFFFAOYSA-N
XLogP2.21
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile (CID 55114615) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile is CC1CCC(CO)(NC2CCCC2C#N)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is GAIANRRMLGEFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-5-7-14(10-17,8-6-11)16-13-4-2-3-12(13)9-15/h11-13,16-17H,2-8,10H2,1H3.
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55114615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).