1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile

C13H23N3O — CID 28702737

IUPAC1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCCN2CCOCC2)CCCCC1
InChIInChI=1S/C13H23N3O/c14-12-13(4-2-1-3-5-13)15-6-7-16-8-10-17-11-9-16/h15H,1-11H2
InChIKeyAAQIIMWOJXTQOM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.13
Rot. Bonds4

About 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile

1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile (PubChem CID 28702737) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile
PubChem CID28702737
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NCCN2CCOCC2)CCCCC1
InChIInChI=1S/C13H23N3O/c14-12-13(4-2-1-3-5-13)15-6-7-16-8-10-17-11-9-16/h15H,1-11H2
InChIKeyAAQIIMWOJXTQOM-UHFFFAOYSA-N
XLogP1.13
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile (CID 28702737) is 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile is N#CC1(NCCN2CCOCC2)CCCCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile?
The InChIKey is AAQIIMWOJXTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-12-13(4-2-1-3-5-13)15-6-7-16-8-10-17-11-9-16/h15H,1-11H2.
What are the key properties of 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile?
1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile has a molecular weight of 237.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 28702737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).