2-(cyclopentylamino)-3-hydroxypropanenitrile

C8H14N2O — CID 104711189

IUPAC2-(cyclopentylamino)-3-hydroxypropanenitrile
SMILESN#CC(CO)NC1CCCC1
InChIInChI=1S/C8H14N2O/c9-5-8(6-11)10-7-3-1-2-4-7/h7-8,10-11H,1-4,6H2
InChIKeyRBJSCWDZXCNHKP-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.40
Rot. Bonds3

About 2-(cyclopentylamino)-3-hydroxypropanenitrile

2-(cyclopentylamino)-3-hydroxypropanenitrile (PubChem CID 104711189) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-hydroxypropanenitrile
PubChem CID104711189
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(cyclopentylamino)-3-hydroxypropanenitrile
SMILESN#CC(CO)NC1CCCC1
InChIInChI=1S/C8H14N2O/c9-5-8(6-11)10-7-3-1-2-4-7/h7-8,10-11H,1-4,6H2
InChIKeyRBJSCWDZXCNHKP-UHFFFAOYSA-N
XLogP0.40
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-4-methylpentanenitrile
CID 61002564
3-cyano-3-(cyclohexylamino)-N-propan-2-ylpropanamide
CID 66432831
ethyl 3-cyano-3-(cyclopentylamino)propanoate
CID 66432359
2-(cyclohexylamino)-4,4-dimethoxybutanenitrile
CID 66269206
2-(cyclohexylamino)nonanenitrile
CID 54894188
2-(cyclopentylamino)-5-methylsulfanylpentanenitrile
CID 103089212
3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile
CID 66321820
4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
CID 63030163
1-(cyclohexylamino)ethane-1,2-diol
CID 123616579
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile
CID 113336073
2-(cyclododecylamino)propan-1-ol
CID 43499740

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-hydroxypropanenitrile?
The IUPAC name of 2-(cyclopentylamino)-3-hydroxypropanenitrile (CID 104711189) is 2-(cyclopentylamino)-3-hydroxypropanenitrile.
What is the SMILES notation for 2-(cyclopentylamino)-3-hydroxypropanenitrile?
The canonical SMILES for 2-(cyclopentylamino)-3-hydroxypropanenitrile is N#CC(CO)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-3-hydroxypropanenitrile?
The InChIKey is RBJSCWDZXCNHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-5-8(6-11)10-7-3-1-2-4-7/h7-8,10-11H,1-4,6H2.
What are the key properties of 2-(cyclopentylamino)-3-hydroxypropanenitrile?
2-(cyclopentylamino)-3-hydroxypropanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-hydroxypropanenitrile is sourced from PubChem (CID 104711189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).