4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one

C11H19NO2 — CID 79125810

IUPAC4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one
SMILESNCC1(C2(O)CCC(=O)CC2)CCC1
InChIInChI=1S/C11H19NO2/c12-8-10(4-1-5-10)11(14)6-2-9(13)3-7-11/h14H,1-8,12H2
InChIKeyMGFSKYQQVYKQPS-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.99
Rot. Bonds2

About 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one

4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one (PubChem CID 79125810) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one
PubChem CID79125810
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one
SMILESNCC1(C2(O)CCC(=O)CC2)CCC1
InChIInChI=1S/C11H19NO2/c12-8-10(4-1-5-10)11(14)6-2-9(13)3-7-11/h14H,1-8,12H2
InChIKeyMGFSKYQQVYKQPS-UHFFFAOYSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
8-[1-(aminomethyl)cyclobutyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79125807
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
CID 103983091
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79128825
2-[1-(aminomethyl)cycloheptyl]-1,3-dihydroinden-2-ol
CID 79126623
1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one (CID 79125810) is 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one is NCC1(C2(O)CCC(=O)CC2)CCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one?
The InChIKey is MGFSKYQQVYKQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-8-10(4-1-5-10)11(14)6-2-9(13)3-7-11/h14H,1-8,12H2.
What are the key properties of 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one?
4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclobutyl]-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 79125810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).