3-(2-morpholin-4-ylcyclohexyl)propanenitrile

C13H22N2O — CID 13398809

IUPAC3-(2-morpholin-4-ylcyclohexyl)propanenitrile
SMILESN#CCCC1CCCCC1N1CCOCC1
InChIInChI=1S/C13H22N2O/c14-7-3-5-12-4-1-2-6-13(12)15-8-10-16-11-9-15/h12-13H,1-6,8-11H2
InChIKeyLAHXUAREFAEOAA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds3

About 3-(2-morpholin-4-ylcyclohexyl)propanenitrile

3-(2-morpholin-4-ylcyclohexyl)propanenitrile (PubChem CID 13398809) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylcyclohexyl)propanenitrile.

Molecular Properties

Compound Name3-(2-morpholin-4-ylcyclohexyl)propanenitrile
PubChem CID13398809
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(2-morpholin-4-ylcyclohexyl)propanenitrile
SMILESN#CCCC1CCCCC1N1CCOCC1
InChIInChI=1S/C13H22N2O/c14-7-3-5-12-4-1-2-6-13(12)15-8-10-16-11-9-15/h12-13H,1-6,8-11H2
InChIKeyLAHXUAREFAEOAA-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-ylcyclohexane-1-carbonitrile
CID 43291520
sodium (2-morpholin-4-ylcyclopentyl)methanesulfonate
CID 175781720
2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62987288
(2-morpholin-4-ylcyclobutyl)methanamine
CID 80998654
4-[2-[3-(1-benzothiophen-3-yl)propyl]cyclohexyl]morpholine
CID 21045507
3-[(1R,2R)-2-methoxycyclohexyl]propanenitrile
CID 12555919
3-[(1S,2S)-2-methoxycyclohexyl]propanenitrile
CID 71404330
[2-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 63171645
trans-(1R,2R)-2-morpholin-4-ylcyclobutan-1-amine
CID 130926079
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
3-cycloheptylpropanenitrile
CID 13164045

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylcyclohexyl)propanenitrile?
The IUPAC name of 3-(2-morpholin-4-ylcyclohexyl)propanenitrile (CID 13398809) is 3-(2-morpholin-4-ylcyclohexyl)propanenitrile.
What is the SMILES notation for 3-(2-morpholin-4-ylcyclohexyl)propanenitrile?
The canonical SMILES for 3-(2-morpholin-4-ylcyclohexyl)propanenitrile is N#CCCC1CCCCC1N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylcyclohexyl)propanenitrile?
The InChIKey is LAHXUAREFAEOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-7-3-5-12-4-1-2-6-13(12)15-8-10-16-11-9-15/h12-13H,1-6,8-11H2.
What are the key properties of 3-(2-morpholin-4-ylcyclohexyl)propanenitrile?
3-(2-morpholin-4-ylcyclohexyl)propanenitrile has a molecular weight of 222.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylcyclohexyl)propanenitrile is sourced from PubChem (CID 13398809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).