2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile

C12H20N2O — CID 112634008

IUPAC2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile
SMILESCC1(C)C(O)CC1NC1CCCC1C#N
InChIInChI=1S/C12H20N2O/c1-12(2)10(6-11(12)15)14-9-5-3-4-8(9)7-13/h8-11,14-15H,3-6H2,1-2H3
InChIKeySOWQPUUKMPFWNI-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.43
Rot. Bonds2

About 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile

2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile (PubChem CID 112634008) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile
PubChem CID112634008
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile
SMILESCC1(C)C(O)CC1NC1CCCC1C#N
InChIInChI=1S/C12H20N2O/c1-12(2)10(6-11(12)15)14-9-5-3-4-8(9)7-13/h8-11,14-15H,3-6H2,1-2H3
InChIKeySOWQPUUKMPFWNI-UHFFFAOYSA-N
XLogP1.43
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
3-[(2-imidazol-1-ylcyclopentyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112633655
2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 103917447
2-(2-bicyclo[3.1.0]hexanylamino)cyclopentane-1-carbonitrile
CID 130525427
3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634164
2-[(5,5-dimethylthian-3-yl)amino]cyclopentane-1-carbonitrile
CID 79958647
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
CID 103952052
2,2-dimethyl-3-[(2-propylcyclopropyl)amino]cyclobutan-1-ol
CID 103952172

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile (CID 112634008) is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile is CC1(C)C(O)CC1NC1CCCC1C#N.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is SOWQPUUKMPFWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2)10(6-11(12)15)14-9-5-3-4-8(9)7-13/h8-11,14-15H,3-6H2,1-2H3.
What are the key properties of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile?
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 112634008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).