3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile

C14H22N2O — CID 64624261

IUPAC3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCC(C2CC2)C1
InChIInChI=1S/C14H22N2O/c15-11-14(16-6-8-17-9-7-16)5-1-2-13(10-14)12-3-4-12/h12-13H,1-10H2
InChIKeyWGKXBKJKUQDSNZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds2

About 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile

3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile (PubChem CID 64624261) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
PubChem CID64624261
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCC(C2CC2)C1
InChIInChI=1S/C14H22N2O/c15-11-14(16-6-8-17-9-7-16)5-1-2-13(10-14)12-3-4-12/h12-13H,1-10H2
InChIKeyWGKXBKJKUQDSNZ-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile?
The IUPAC name of 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile (CID 64624261) is 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile is N#CC1(N2CCOCC2)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile?
The InChIKey is WGKXBKJKUQDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-11-14(16-6-8-17-9-7-16)5-1-2-13(10-14)12-3-4-12/h12-13H,1-10H2.
What are the key properties of 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile?
3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64624261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).