3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile

C11H20N2O — CID 64910976

IUPAC3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNCC1CCCCC1O
InChIInChI=1S/C11H20N2O/c1-9(6-12)7-13-8-10-4-2-3-5-11(10)14/h9-11,13-14H,2-5,7-8H2,1H3
InChIKeyOGRFVXPPSYYJSC-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds4

About 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile

3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile (PubChem CID 64910976) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile
PubChem CID64910976
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNCC1CCCCC1O
InChIInChI=1S/C11H20N2O/c1-9(6-12)7-13-8-10-4-2-3-5-11(10)14/h9-11,13-14H,2-5,7-8H2,1H3
InChIKeyOGRFVXPPSYYJSC-UHFFFAOYSA-N
XLogP1.29
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile (CID 64910976) is 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile is CC(C#N)CNCC1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile?
The InChIKey is OGRFVXPPSYYJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(6-12)7-13-8-10-4-2-3-5-11(10)14/h9-11,13-14H,2-5,7-8H2,1H3.
What are the key properties of 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile?
3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 64910976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).