2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile

C12H20N2O — CID 102862438

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N(CCO)C1CCC1
InChIInChI=1S/C12H20N2O/c13-9-10-3-1-6-12(10)14(7-8-15)11-4-2-5-11/h10-12,15H,1-8H2
InChIKeyITZDGWXCOUUOSV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.53
Rot. Bonds4

About 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile

2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile (PubChem CID 102862438) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile
PubChem CID102862438
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N(CCO)C1CCC1
InChIInChI=1S/C12H20N2O/c13-9-10-3-1-6-12(10)14(7-8-15)11-4-2-5-11/h10-12,15H,1-8H2
InChIKeyITZDGWXCOUUOSV-UHFFFAOYSA-N
XLogP1.53
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 54993404
2-[cyclopropyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 43291906
2-[cyclopropyl(3-methylbutyl)amino]cycloheptane-1-carbonitrile
CID 78974231
2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile
CID 64521146
2-[cyclopropyl(2-methylpropyl)amino]cycloheptane-1-carbonitrile
CID 55002068
2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol
CID 96555182
2-[[2-(aminomethyl)cycloheptyl]-cyclopentylamino]ethanol
CID 54993333
2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
CID 62115637
2-[3-hydroxypropyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
CID 54993204
2-chloro-3-[cyclobutyl(2-hydroxyethyl)amino]propanenitrile
CID 102862459
2-[azetidin-3-yl(cyclobutyl)amino]ethanol
CID 102875396
cyclopentane-1,2-dicarbonitrile
CID 19807606

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile (CID 102862438) is 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile is N#CC1CCCC1N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is ITZDGWXCOUUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-9-10-3-1-6-12(10)14(7-8-15)11-4-2-5-11/h10-12,15H,1-8H2.
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile?
2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 102862438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).