cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile

C9H16N2 — CID 94580452

IUPACcis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)N[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C9H16N2/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyXFDRCMQLWPMGHU-BDAKNGLRSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds2

About cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile

cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 94580452) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID94580452
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Namecis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)N[C@H]1CCC[C@@H]1C#N
InChIInChI=1S/C9H16N2/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyXFDRCMQLWPMGHU-BDAKNGLRSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 94580452) is cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)N[C@H]1CCC[C@@H]1C#N.
What is the InChIKey of cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is XFDRCMQLWPMGHU-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)11-9-5-3-4-8(9)6-10/h7-9,11H,3-5H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile?
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 94580452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).