4-[amino(cyclobutyl)methyl]cyclohexan-1-one

C11H19NO — CID 116942015

IUPAC4-[amino(cyclobutyl)methyl]cyclohexan-1-one
SMILESNC(C1CCC1)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO/c12-11(8-2-1-3-8)9-4-6-10(13)7-5-9/h8-9,11H,1-7,12H2
InChIKeyHMGFFAYLKFGEBB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds2

About 4-[amino(cyclobutyl)methyl]cyclohexan-1-one

4-[amino(cyclobutyl)methyl]cyclohexan-1-one (PubChem CID 116942015) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[amino(cyclobutyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[amino(cyclobutyl)methyl]cyclohexan-1-one
PubChem CID116942015
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[amino(cyclobutyl)methyl]cyclohexan-1-one
SMILESNC(C1CCC1)C1CCC(=O)CC1
InChIInChI=1S/C11H19NO/c12-11(8-2-1-3-8)9-4-6-10(13)7-5-9/h8-9,11H,1-7,12H2
InChIKeyHMGFFAYLKFGEBB-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl(cyclohexyl)methanamine
CID 65399873
4-(1-aminopropyl)cyclohexan-1-one
CID 116941905
4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one
CID 116957111
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
6-bicyclo[3.1.0]hexanyl(cyclobutyl)methanamine
CID 105049389
cyclobutylmethanediamine
CID 141249006
cyclobutyl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105187570
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
4-[amino(cyclopentyl)methyl]cyclohexan-1-ol
CID 116941893
methyl 2-(4-oxocyclohexyl)propanoate
CID 76688325
1-cyclobutyl-3-(4-oxocyclohexyl)urea
CID 116658369
2-hydroxy-2-(4-oxocyclohexyl)acetonitrile
CID 57465174

Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclobutyl)methyl]cyclohexan-1-one?
The IUPAC name of 4-[amino(cyclobutyl)methyl]cyclohexan-1-one (CID 116942015) is 4-[amino(cyclobutyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[amino(cyclobutyl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[amino(cyclobutyl)methyl]cyclohexan-1-one is NC(C1CCC1)C1CCC(=O)CC1.
What is the InChIKey of 4-[amino(cyclobutyl)methyl]cyclohexan-1-one?
The InChIKey is HMGFFAYLKFGEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-11(8-2-1-3-8)9-4-6-10(13)7-5-9/h8-9,11H,1-7,12H2.
What are the key properties of 4-[amino(cyclobutyl)methyl]cyclohexan-1-one?
4-[amino(cyclobutyl)methyl]cyclohexan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclobutyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 116942015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).