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

C12H20N2O — CID 82738621

IUPAC2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile
SMILESCN(C1CCOC1)C1CCCCC1C#N
InChIInChI=1S/C12H20N2O/c1-14(11-6-7-15-9-11)12-5-3-2-4-10(12)8-13/h10-12H,2-7,9H2,1H3
InChIKeyZYUHSHXCIXOEKB-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.79
Rot. Bonds2

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

2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 82738621) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile
PubChem CID82738621
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile
SMILESCN(C1CCOC1)C1CCCCC1C#N
InChIInChI=1S/C12H20N2O/c1-14(11-6-7-15-9-11)12-5-3-2-4-10(12)8-13/h10-12H,2-7,9H2,1H3
InChIKeyZYUHSHXCIXOEKB-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile (CID 82738621) is 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile is CN(C1CCOC1)C1CCCCC1C#N.
What is the InChIKey of 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is ZYUHSHXCIXOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(11-6-7-15-9-11)12-5-3-2-4-10(12)8-13/h10-12H,2-7,9H2,1H3.
What are the key properties of 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile?
2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 82738621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).