3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one

C13H21NO — CID 12735106

IUPAC3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one
SMILESCN(C1=CC(=O)CCC1)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-14(11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h10-11H,2-9H2,1H3
InChIKeyHSRVTLPUTMWOBM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds2

About 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one

3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one (PubChem CID 12735106) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one
PubChem CID12735106
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one
SMILESCN(C1=CC(=O)CCC1)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-14(11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h10-11H,2-9H2,1H3
InChIKeyHSRVTLPUTMWOBM-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one?
The IUPAC name of 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one (CID 12735106) is 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one is CN(C1=CC(=O)CCC1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one?
The InChIKey is HSRVTLPUTMWOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14(11-6-3-2-4-7-11)12-8-5-9-13(15)10-12/h10-11H,2-9H2,1H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one?
3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]cyclohex-2-en-1-one is sourced from PubChem (CID 12735106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).