2-(methylamino)cyclohexan-1-one

C7H13NO — CID 4041003

IUPAC2-(methylamino)cyclohexan-1-one
SMILESCNC1CCCCC1=O
InChIInChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(6)9/h6,8H,2-5H2,1H3
InChIKeyLWXRVGSVNXASAD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds1

About 2-(methylamino)cyclohexan-1-one

2-(methylamino)cyclohexan-1-one (PubChem CID 4041003) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(methylamino)cyclohexan-1-one
PubChem CID4041003
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(methylamino)cyclohexan-1-one
SMILESCNC1CCCCC1=O
InChIInChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(6)9/h6,8H,2-5H2,1H3
InChIKeyLWXRVGSVNXASAD-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Conhydrinone
CID 426124
2-Aminocyclohexanone
CID 413888
1-[(2S)-Piperidin-2-yl]ethan-1-one
CID 10879277
2-Acetylpiperidine
CID 558520
1-(Piperidin-2-yl)ethanone hydrochloride
CID 53407241
1-[(2S)-piperidin-2-yl]ethan-1-one hydrochloride
CID 121552379
1-[(2R)-piperidin-2-yl]ethan-1-one hydrochloride
CID 121552380
N-acetyl-aminocyclohexanone
CID 12217020
2-(Methylamino)cyclohexanone hydrochloride
CID 20499288
2-(Methylamino)cycloheptan-1-one
CID 20644276
1-[(2S)-Piperidin-2-YL]propan-1-one
CID 55287489
2-Methylpiperidin-3-one
CID 56972713

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)cyclohexan-1-one?
The IUPAC name of 2-(methylamino)cyclohexan-1-one (CID 4041003) is 2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(methylamino)cyclohexan-1-one?
The canonical SMILES for 2-(methylamino)cyclohexan-1-one is CNC1CCCCC1=O.
What is the InChIKey of 2-(methylamino)cyclohexan-1-one?
The InChIKey is LWXRVGSVNXASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(6)9/h6,8H,2-5H2,1H3.
What are the key properties of 2-(methylamino)cyclohexan-1-one?
2-(methylamino)cyclohexan-1-one has a molecular weight of 127.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 4041003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).