2-[methyl(pentyl)amino]cyclohexan-1-one

C12H23NO — CID 43796037

IUPAC2-[methyl(pentyl)amino]cyclohexan-1-one
SMILESCCCCCN(C)C1CCCCC1=O
InChIInChI=1S/C12H23NO/c1-3-4-7-10-13(2)11-8-5-6-9-12(11)14/h11H,3-10H2,1-2H3
InChIKeyAAJGFLUOGRXXIM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.62
Rot. Bonds5

About 2-[methyl(pentyl)amino]cyclohexan-1-one

2-[methyl(pentyl)amino]cyclohexan-1-one (PubChem CID 43796037) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[methyl(pentyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[methyl(pentyl)amino]cyclohexan-1-one
PubChem CID43796037
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[methyl(pentyl)amino]cyclohexan-1-one
SMILESCCCCCN(C)C1CCCCC1=O
InChIInChI=1S/C12H23NO/c1-3-4-7-10-13(2)11-8-5-6-9-12(11)14/h11H,3-10H2,1-2H3
InChIKeyAAJGFLUOGRXXIM-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.62
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

2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
CID 112661915
3-[methyl-(2-oxocyclohexyl)amino]propanenitrile
CID 62051152
2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
CID 43795669
2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one
CID 60892125
2-(dipropylamino)cyclopentan-1-one
CID 43794618
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-[(1-hydroxycyclopentyl)methyl-methylamino]cyclohexan-1-one
CID 114950414
2-[methyl(2-phenylethyl)amino]cyclopentan-1-one
CID 65488015
N-methyl-N-pentylcyclobutanamine
CID 142562644
2-[methyl(2-methylpropyl)amino]cyclopentan-1-one
CID 43795675
2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
CID 60863279

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentyl)amino]cyclohexan-1-one?
The IUPAC name of 2-[methyl(pentyl)amino]cyclohexan-1-one (CID 43796037) is 2-[methyl(pentyl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[methyl(pentyl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[methyl(pentyl)amino]cyclohexan-1-one is CCCCCN(C)C1CCCCC1=O.
What is the InChIKey of 2-[methyl(pentyl)amino]cyclohexan-1-one?
The InChIKey is AAJGFLUOGRXXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-7-10-13(2)11-8-5-6-9-12(11)14/h11H,3-10H2,1-2H3.
What are the key properties of 2-[methyl(pentyl)amino]cyclohexan-1-one?
2-[methyl(pentyl)amino]cyclohexan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentyl)amino]cyclohexan-1-one is sourced from PubChem (CID 43796037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).