1-morpholin-4-ylcyclododecane-1-carbonitrile

C17H30N2O — CID 43802977

IUPAC1-morpholin-4-ylcyclododecane-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCCCCCCCCC1
InChIInChI=1S/C17H30N2O/c18-16-17(19-12-14-20-15-13-19)10-8-6-4-2-1-3-5-7-9-11-17/h1-15H2
InChIKeySIKYBZVIEAFKOL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.89
Rot. Bonds1

About 1-morpholin-4-ylcyclododecane-1-carbonitrile

1-morpholin-4-ylcyclododecane-1-carbonitrile (PubChem CID 43802977) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclododecane-1-carbonitrile.

Molecular Properties

Compound Name1-morpholin-4-ylcyclododecane-1-carbonitrile
PubChem CID43802977
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-morpholin-4-ylcyclododecane-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCCCCCCCCC1
InChIInChI=1S/C17H30N2O/c18-16-17(19-12-14-20-15-13-19)10-8-6-4-2-1-3-5-7-9-11-17/h1-15H2
InChIKeySIKYBZVIEAFKOL-UHFFFAOYSA-N
XLogP3.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Morpholinyl)cyclohexanecarbonitrile
CID 766257
1-(Morpholin-4-yl)cyclopentane-1-carbonitrile
CID 16644595
Cyclohexanecarbonitrile, 1-morpholino-, hydrochloride
CID 3055640
2-(1-Fluorocyclohexyl)-2-morpholin-4-ylacetonitrile
CID 46894278
2-Fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
cis-(1R,2R)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 168327546
7-Methyl-7-morpholin-4-ylundec-5-ynedinitrile
CID 102227967
cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 46894283
2,2-Difluoro-2-(1-morpholin-4-ylcyclohexyl)acetonitrile
CID 62707093
2-Cyclohexyl-2-morpholin-4-ylacetonitrile
CID 12069857
CID 58998129
CID 58998129
4-(7-Methyltridecan-7-yl)morpholine
CID 129066954

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylcyclododecane-1-carbonitrile?
The IUPAC name of 1-morpholin-4-ylcyclododecane-1-carbonitrile (CID 43802977) is 1-morpholin-4-ylcyclododecane-1-carbonitrile.
What is the SMILES notation for 1-morpholin-4-ylcyclododecane-1-carbonitrile?
The canonical SMILES for 1-morpholin-4-ylcyclododecane-1-carbonitrile is N#CC1(N2CCOCC2)CCCCCCCCCCC1.
What is the InChIKey of 1-morpholin-4-ylcyclododecane-1-carbonitrile?
The InChIKey is SIKYBZVIEAFKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c18-16-17(19-12-14-20-15-13-19)10-8-6-4-2-1-3-5-7-9-11-17/h1-15H2.
What are the key properties of 1-morpholin-4-ylcyclododecane-1-carbonitrile?
1-morpholin-4-ylcyclododecane-1-carbonitrile has a molecular weight of 278.44 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylcyclododecane-1-carbonitrile is sourced from PubChem (CID 43802977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).