3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile

C11H20N2O — CID 102734577

IUPAC3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H20N2O/c1-9(2)13(8-4-7-12)10-5-3-6-11(10)14/h9-11,14H,3-6,8H2,1-2H3/t10-,11-/m1/s1
InChIKeySZFBLVAZYPUMSX-GHMZBOCLSA-N
MW196.29 g/mol
LogP1.52
Rot. Bonds4

About 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile

3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile (PubChem CID 102734577) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
PubChem CID102734577
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H20N2O/c1-9(2)13(8-4-7-12)10-5-3-6-11(10)14/h9-11,14H,3-6,8H2,1-2H3/t10-,11-/m1/s1
InChIKeySZFBLVAZYPUMSX-GHMZBOCLSA-N
XLogP1.52
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734568
3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
CID 102734559
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042
3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
CID 63223531
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562
3-[(2-oxocyclopentyl)-propan-2-ylamino]propanenitrile
CID 62036591

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile (CID 102734577) is 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)[C@@H]1CCC[C@H]1O.
What is the InChIKey of 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile?
The InChIKey is SZFBLVAZYPUMSX-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)13(8-4-7-12)10-5-3-6-11(10)14/h9-11,14H,3-6,8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile?
3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 102734577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).