1-(4-aminocyclohexyl)-3-methylpentan-1-one

C12H23NO — CID 116557256

IUPAC1-(4-aminocyclohexyl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H23NO/c1-3-9(2)8-12(14)10-4-6-11(13)7-5-10/h9-11H,3-8,13H2,1-2H3
InChIKeySRIYRTLTADFRBZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-aminocyclohexyl)-3-methylpentan-1-one

1-(4-aminocyclohexyl)-3-methylpentan-1-one (PubChem CID 116557256) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-methylpentan-1-one
PubChem CID116557256
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(4-aminocyclohexyl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H23NO/c1-3-9(2)8-12(14)10-4-6-11(13)7-5-10/h9-11H,3-8,13H2,1-2H3
InChIKeySRIYRTLTADFRBZ-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
CID 65424663
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 60847602
4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79469783
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-one
CID 105091653
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone
CID 107752722
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
3-[(4-aminocyclohexyl)-methylamino]butanoic acid
CID 79121835
3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
CID 116608822

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-methylpentan-1-one?
The IUPAC name of 1-(4-aminocyclohexyl)-3-methylpentan-1-one (CID 116557256) is 1-(4-aminocyclohexyl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-methylpentan-1-one?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-methylpentan-1-one is CCC(C)CC(=O)C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-methylpentan-1-one?
The InChIKey is SRIYRTLTADFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9(2)8-12(14)10-4-6-11(13)7-5-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-aminocyclohexyl)-3-methylpentan-1-one?
1-(4-aminocyclohexyl)-3-methylpentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-methylpentan-1-one is sourced from PubChem (CID 116557256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).