4-[decyl(methyl)amino]cyclohexan-1-one

C17H33NO — CID 79120098

IUPAC4-[decyl(methyl)amino]cyclohexan-1-one
SMILESCCCCCCCCCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-15-18(2)16-11-13-17(19)14-12-16/h16H,3-15H2,1-2H3
InChIKeyUUURCJVEZBQCDS-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.57
Rot. Bonds10

About 4-[decyl(methyl)amino]cyclohexan-1-one

4-[decyl(methyl)amino]cyclohexan-1-one (PubChem CID 79120098) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-[decyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[decyl(methyl)amino]cyclohexan-1-one
PubChem CID79120098
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-[decyl(methyl)amino]cyclohexan-1-one
SMILESCCCCCCCCCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-15-18(2)16-11-13-17(19)14-12-16/h16H,3-15H2,1-2H3
InChIKeyUUURCJVEZBQCDS-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
CID 79120512
N-methyl-N-pentylcyclobutanamine
CID 142562644
4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one
CID 106452882
4-[2-cyclobutylethyl(methyl)amino]cyclohexan-1-one
CID 117039789
4-[but-3-ynyl(methyl)amino]cyclohexan-1-one
CID 79119767
4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
CID 117039757
butyl 2-[methyl-(4-oxocyclohexyl)amino]acetate
CID 79119526
4-decylcyclohexan-1-one
CID 13479948
N-methyl-N-nonylazetidin-3-amine
CID 66186670
N-heptyl-N-methylazetidin-3-amine
CID 66185882
3-(dibutylamino)cyclopentan-1-one
CID 79644207
4-[2-ethylbutyl(methyl)amino]cyclohexan-1-one
CID 82927370

Frequently Asked Questions

What is the IUPAC name of 4-[decyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[decyl(methyl)amino]cyclohexan-1-one (CID 79120098) is 4-[decyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[decyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[decyl(methyl)amino]cyclohexan-1-one is CCCCCCCCCCN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[decyl(methyl)amino]cyclohexan-1-one?
The InChIKey is UUURCJVEZBQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-15-18(2)16-11-13-17(19)14-12-16/h16H,3-15H2,1-2H3.
What are the key properties of 4-[decyl(methyl)amino]cyclohexan-1-one?
4-[decyl(methyl)amino]cyclohexan-1-one has a molecular weight of 267.46 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[decyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).