2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile

C9H16N2O — CID 130509188

IUPAC2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile
SMILESCC(C#N)(CO)NC1CCCC1
InChIInChI=1S/C9H16N2O/c1-9(6-10,7-12)11-8-4-2-3-5-8/h8,11-12H,2-5,7H2,1H3
InChIKeyXFGPOABNGSWBSZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.79
Rot. Bonds3

About 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile

2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile (PubChem CID 130509188) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile
PubChem CID130509188
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile
SMILESCC(C#N)(CO)NC1CCCC1
InChIInChI=1S/C9H16N2O/c1-9(6-10,7-12)11-8-4-2-3-5-8/h8,11-12H,2-5,7H2,1H3
InChIKeyXFGPOABNGSWBSZ-UHFFFAOYSA-N
XLogP0.79
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-2,5-dimethylhexanenitrile
CID 61002466
2-(cyclopentylamino)-2-methylhex-5-enenitrile
CID 104655926
2-(cycloheptylamino)-2-methylhex-5-enenitrile
CID 104655930
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpropanenitrile
CID 63120172
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
2-(cyclopropylamino)-2-methylpropan-1-ol
CID 61056004
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-cyclohexyl-2-(cyclopentylamino)propan-1-ol
CID 64758710
2-(cyclopropylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
CID 66137293
2-(cyclopropylamino)-4-(3-hydroxypropylsulfanyl)-2-methylpentanenitrile
CID 66127896
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile (CID 130509188) is 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile is CC(C#N)(CO)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile?
The InChIKey is XFGPOABNGSWBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(6-10,7-12)11-8-4-2-3-5-8/h8,11-12H,2-5,7H2,1H3.
What are the key properties of 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile?
2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile has a molecular weight of 168.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile is sourced from PubChem (CID 130509188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).