4-(3-methylbutan-2-ylamino)cyclohexan-1-one

C11H21NO — CID 127000025

IUPAC4-(3-methylbutan-2-ylamino)cyclohexan-1-one
SMILESCC(C)C(C)NC1CCC(=O)CC1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)12-10-4-6-11(13)7-5-10/h8-10,12H,4-7H2,1-3H3
InChIKeyAUCPFBAHBASVQJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds3

About 4-(3-methylbutan-2-ylamino)cyclohexan-1-one

4-(3-methylbutan-2-ylamino)cyclohexan-1-one (PubChem CID 127000025) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylamino)cyclohexan-1-one
PubChem CID127000025
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(3-methylbutan-2-ylamino)cyclohexan-1-one
SMILESCC(C)C(C)NC1CCC(=O)CC1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)12-10-4-6-11(13)7-5-10/h8-10,12H,4-7H2,1-3H3
InChIKeyAUCPFBAHBASVQJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
CID 43652748
2-Methyl-N-(4-oxocyclohexyl)propanamide
CID 21533994
2-(Butylamino)cyclohexan-1-one
CID 67932928
5-[(3-Fluoro-3-methylbutyl)amino]hexan-2-one
CID 117725118
3,3-dimethyl-N-(4-oxocyclohexyl)butanamide
CID 43652772
2-ethyl-N-(4-oxocyclohexyl)butanamide
CID 43652798
2,2-dimethyl-N-(4-oxocyclohexyl)butanamide
CID 62678431
N-(4-oxocyclohexyl)-2-propylpentanamide
CID 82984490
(2S)-2-methyl-N-(4-oxocyclohexyl)butanamide
CID 176434977
Cyclohexanone, 4-(propylamino)-
CID 11819262
4-(Propan-2-ylamino)cyclohexan-1-one
CID 15290848
4-(Ethylamino)cyclohexan-1-one
CID 15290866

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylamino)cyclohexan-1-one?
The IUPAC name of 4-(3-methylbutan-2-ylamino)cyclohexan-1-one (CID 127000025) is 4-(3-methylbutan-2-ylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(3-methylbutan-2-ylamino)cyclohexan-1-one?
The canonical SMILES for 4-(3-methylbutan-2-ylamino)cyclohexan-1-one is CC(C)C(C)NC1CCC(=O)CC1.
What is the InChIKey of 4-(3-methylbutan-2-ylamino)cyclohexan-1-one?
The InChIKey is AUCPFBAHBASVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9(3)12-10-4-6-11(13)7-5-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-(3-methylbutan-2-ylamino)cyclohexan-1-one?
4-(3-methylbutan-2-ylamino)cyclohexan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylamino)cyclohexan-1-one is sourced from PubChem (CID 127000025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).