2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile

C13H22N2O — CID 82738063

IUPAC2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1OCCC1N(C)C1CCCCC1C#N
InChIInChI=1S/C13H22N2O/c1-10-12(7-8-16-10)15(2)13-6-4-3-5-11(13)9-14/h10-13H,3-8H2,1-2H3
InChIKeyVAZPSUPVXIUGMJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds2

About 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile

2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 82738063) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile
PubChem CID82738063
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1OCCC1N(C)C1CCCCC1C#N
InChIInChI=1S/C13H22N2O/c1-10-12(7-8-16-10)15(2)13-6-4-3-5-11(13)9-14/h10-13H,3-8H2,1-2H3
InChIKeyVAZPSUPVXIUGMJ-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile (CID 82738063) is 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile is CC1OCCC1N(C)C1CCCCC1C#N.
What is the InChIKey of 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is VAZPSUPVXIUGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-12(7-8-16-10)15(2)13-6-4-3-5-11(13)9-14/h10-13H,3-8H2,1-2H3.
What are the key properties of 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile?
2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 82738063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).