3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile

C10H18N2O — CID 102734559

IUPAC3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
SMILESCCN(CCC#N)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H18N2O/c1-2-12(8-4-7-11)9-5-3-6-10(9)13/h9-10,13H,2-6,8H2,1H3/t9-,10-/m0/s1
InChIKeyCGTNLVLFNCHPOZ-UWVGGRQHSA-N
MW182.27 g/mol
LogP1.14
Rot. Bonds4

About 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile

3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile (PubChem CID 102734559) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
PubChem CID102734559
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
SMILESCCN(CCC#N)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H18N2O/c1-2-12(8-4-7-11)9-5-3-6-10(9)13/h9-10,13H,2-6,8H2,1H3/t9-,10-/m0/s1
InChIKeyCGTNLVLFNCHPOZ-UWVGGRQHSA-N
XLogP1.14
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792
3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
CID 102734577
3-[ethyl-(2-hydroxycyclopentyl)amino]propanoic acid
CID 61011037
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
3-[ethyl(piperidin-3-yl)amino]propanenitrile
CID 63636952
3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
CID 63223531
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
4-[2-cyanoethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66247455
2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol
CID 63470757
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734522
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile (CID 102734559) is 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile is CCN(CCC#N)[C@H]1CCC[C@@H]1O.
What is the InChIKey of 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile?
The InChIKey is CGTNLVLFNCHPOZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-12(8-4-7-11)9-5-3-6-10(9)13/h9-10,13H,2-6,8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile?
3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile is sourced from PubChem (CID 102734559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).