3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile

C10H18N2O — CID 106360707

IUPAC3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CCCC1CO
InChIInChI=1S/C10H18N2O/c1-8(5-11)6-12-10-4-2-3-9(10)7-13/h8-10,12-13H,2-4,6-7H2,1H3
InChIKeyDVYDPDIVIDNHMD-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.90
Rot. Bonds4

About 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile

3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile (PubChem CID 106360707) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
PubChem CID106360707
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
SMILESCC(C#N)CNC1CCCC1CO
InChIInChI=1S/C10H18N2O/c1-8(5-11)6-12-10-4-2-3-9(10)7-13/h8-10,12-13H,2-4,6-7H2,1H3
InChIKeyDVYDPDIVIDNHMD-UHFFFAOYSA-N
XLogP0.90
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropan-1-ol
CID 106360784
3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
CID 104934327
4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile
CID 106360637
2-methyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)propanenitrile
CID 62648141
3-[[2-(hydroxymethyl)cyclohexyl]amino]propanenitrile
CID 106361139
1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 106360589
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
CID 130608522
3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 106362427
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
1,1,1-trifluoro-3-[[2-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 104934387
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile (CID 106360707) is 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile is CC(C#N)CNC1CCCC1CO.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile?
The InChIKey is DVYDPDIVIDNHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(5-11)6-12-10-4-2-3-9(10)7-13/h8-10,12-13H,2-4,6-7H2,1H3.
What are the key properties of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile?
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile has a molecular weight of 182.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 106360707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).