1-cycloheptyl-2-(cyclopropylamino)ethanone

C12H21NO — CID 116555214

IUPAC1-cycloheptyl-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)C1CCCCCC1
InChIInChI=1S/C12H21NO/c14-12(9-13-11-7-8-11)10-5-3-1-2-4-6-10/h10-11,13H,1-9H2
InChIKeyHDRUVMGJVSBPRK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds4

About 1-cycloheptyl-2-(cyclopropylamino)ethanone

1-cycloheptyl-2-(cyclopropylamino)ethanone (PubChem CID 116555214) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-cycloheptyl-2-(cyclopropylamino)ethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-(cyclopropylamino)ethanone
PubChem CID116555214
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-cycloheptyl-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)C1CCCCCC1
InChIInChI=1S/C12H21NO/c14-12(9-13-11-7-8-11)10-5-3-1-2-4-6-10/h10-11,13H,1-9H2
InChIKeyHDRUVMGJVSBPRK-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cycloheptyl-2-(2,2,2-trifluoroethylamino)ethanone
CID 116588726
2-(Pyrrolidin-2-yl)cycloheptan-1-one
CID 20552434
1-Cyclohexyl-2-(methylamino)pentan-3-one
CID 20607816
4-(Tert-butylamino)-2,2,6-trimethyloctan-3-one
CID 20750290
2-(Tert-butylamino)-4,4-dimethyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-3-one
CID 20750357
1-Cyclopropyl-2-(piperidin-2-yl)propan-1-one
CID 21429289
2-Methyl-1-(6-methylpiperidin-2-yl)butan-1-one
CID 22620154
2-Methyl-1-(6-methylpiperidin-2-yl)butan-1-one;hydrochloride
CID 22620210
2-Methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one
CID 22893117
1-Cyclopropyl-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 22893158
2-(Tert-butylamino)-1-cycloheptyl-4,4-dimethylpentan-3-one
CID 22972963
4-(Tert-butylamino)-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one
CID 22972999

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(cyclopropylamino)ethanone?
The IUPAC name of 1-cycloheptyl-2-(cyclopropylamino)ethanone (CID 116555214) is 1-cycloheptyl-2-(cyclopropylamino)ethanone.
What is the SMILES notation for 1-cycloheptyl-2-(cyclopropylamino)ethanone?
The canonical SMILES for 1-cycloheptyl-2-(cyclopropylamino)ethanone is O=C(CNC1CC1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(cyclopropylamino)ethanone?
The InChIKey is HDRUVMGJVSBPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(9-13-11-7-8-11)10-5-3-1-2-4-6-10/h10-11,13H,1-9H2.
What are the key properties of 1-cycloheptyl-2-(cyclopropylamino)ethanone?
1-cycloheptyl-2-(cyclopropylamino)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(cyclopropylamino)ethanone is sourced from PubChem (CID 116555214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).