2-[cycloheptyl(methyl)amino]cycloheptan-1-one

C15H27NO — CID 60863113

IUPAC2-[cycloheptyl(methyl)amino]cycloheptan-1-one
SMILESCN(C1CCCCCC1)C1CCCCCC1=O
InChIInChI=1S/C15H27NO/c1-16(13-9-5-2-3-6-10-13)14-11-7-4-8-12-15(14)17/h13-14H,2-12H2,1H3
InChIKeyZFUAOCFEAYZTHL-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.54
Rot. Bonds2

About 2-[cycloheptyl(methyl)amino]cycloheptan-1-one

2-[cycloheptyl(methyl)amino]cycloheptan-1-one (PubChem CID 60863113) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]cycloheptan-1-one
PubChem CID60863113
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[cycloheptyl(methyl)amino]cycloheptan-1-one
SMILESCN(C1CCCCCC1)C1CCCCCC1=O
InChIInChI=1S/C15H27NO/c1-16(13-9-5-2-3-6-10-13)14-11-7-4-8-12-15(14)17/h13-14H,2-12H2,1H3
InChIKeyZFUAOCFEAYZTHL-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(oxolan-3-yl)amino]cycloheptan-1-one
CID 82742633
2-[(3,3-dimethylcyclobutyl)-methylamino]cyclopentan-1-one
CID 130898968
4-[cyclohexyl(methyl)amino]cyclohexan-1-one
CID 79119763
2-[(1,1-dioxothiolan-3-yl)-methylamino]cyclopentan-1-one
CID 43797735
2-[cyclopropyl(ethyl)amino]cycloheptan-1-one
CID 60862924
2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexan-1-one
CID 82741982
2-[1-cyclopropylethyl(methyl)amino]cycloheptan-1-one
CID 60863640
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one
CID 60892125
2-[methyl(2-methylsulfanylethyl)amino]cycloheptan-1-one
CID 112661915
2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
CID 43795669
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]cycloheptan-1-one?
The IUPAC name of 2-[cycloheptyl(methyl)amino]cycloheptan-1-one (CID 60863113) is 2-[cycloheptyl(methyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]cycloheptan-1-one is CN(C1CCCCCC1)C1CCCCCC1=O.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]cycloheptan-1-one?
The InChIKey is ZFUAOCFEAYZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-16(13-9-5-2-3-6-10-13)14-11-7-4-8-12-15(14)17/h13-14H,2-12H2,1H3.
What are the key properties of 2-[cycloheptyl(methyl)amino]cycloheptan-1-one?
2-[cycloheptyl(methyl)amino]cycloheptan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]cycloheptan-1-one is sourced from PubChem (CID 60863113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).