(2R)-2-amino-2-cyclohexylbutanenitrile

C10H18N2 — CID 67737237

IUPAC(2R)-2-amino-2-cyclohexylbutanenitrile
SMILESCC[C@](N)(C#N)C1CCCCC1
InChIInChI=1S/C10H18N2/c1-2-10(12,8-11)9-6-4-3-5-7-9/h9H,2-7,12H2,1H3/t10-/m0/s1
InChIKeyKRMIULPKXPXJSK-JTQLQIEISA-N
MW166.27 g/mol
LogP2.20
Rot. Bonds2

About (2R)-2-amino-2-cyclohexylbutanenitrile

(2R)-2-amino-2-cyclohexylbutanenitrile (PubChem CID 67737237) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexylbutanenitrile
PubChem CID67737237
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2R)-2-amino-2-cyclohexylbutanenitrile
SMILESCC[C@](N)(C#N)C1CCCCC1
InChIInChI=1S/C10H18N2/c1-2-10(12,8-11)9-6-4-3-5-7-9/h9H,2-7,12H2,1H3/t10-/m0/s1
InChIKeyKRMIULPKXPXJSK-JTQLQIEISA-N
XLogP2.20
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylbutan-2-amine
CID 43810238
3-amino-3,3-dicyclohexylpropanenitrile
CID 174404681
2-cyclobutyl-2-methylbutanenitrile
CID 90137843
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
3-methylpentan-3-ylcycloundecane
CID 123467319
2-amino-2-cyclopropyl-3-(4-ethylpiperidin-1-yl)propanenitrile
CID 63912714
2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanenitrile
CID 63913922
2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile
CID 63906026
2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile
CID 63908017
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
4-(3-cyclohexylpentan-3-yl)cyclohexane-1,1-diamine
CID 140875897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexylbutanenitrile?
The IUPAC name of (2R)-2-amino-2-cyclohexylbutanenitrile (CID 67737237) is (2R)-2-amino-2-cyclohexylbutanenitrile.
What is the SMILES notation for (2R)-2-amino-2-cyclohexylbutanenitrile?
The canonical SMILES for (2R)-2-amino-2-cyclohexylbutanenitrile is CC[C@](N)(C#N)C1CCCCC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexylbutanenitrile?
The InChIKey is KRMIULPKXPXJSK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-2-10(12,8-11)9-6-4-3-5-7-9/h9H,2-7,12H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-cyclohexylbutanenitrile?
(2R)-2-amino-2-cyclohexylbutanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclohexylbutanenitrile is sourced from PubChem (CID 67737237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).