2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile

C13H22N2O — CID 61431932

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC1CCCO1)C1CCCCC1C#N
InChIInChI=1S/C13H22N2O/c1-15(10-12-6-4-8-16-12)13-7-3-2-5-11(13)9-14/h11-13H,2-8,10H2,1H3
InChIKeyGJCDOXUWDNOARF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds3

About 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile

2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 61431932) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
PubChem CID61431932
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC1CCCO1)C1CCCCC1C#N
InChIInChI=1S/C13H22N2O/c1-15(10-12-6-4-8-16-12)13-7-3-2-5-11(13)9-14/h11-13H,2-8,10H2,1H3
InChIKeyGJCDOXUWDNOARF-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile (CID 61431932) is 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile is CN(CC1CCCO1)C1CCCCC1C#N.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is GJCDOXUWDNOARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(10-12-6-4-8-16-12)13-7-3-2-5-11(13)9-14/h11-13H,2-8,10H2,1H3.
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 61431932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).