3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one

C9H17NO — CID 115012084

IUPAC3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one
SMILESCC(C)CC1(CN)CC(=O)C1
InChIInChI=1S/C9H17NO/c1-7(2)3-9(6-10)4-8(11)5-9/h7H,3-6,10H2,1-2H3
InChIKeyGKYMVTGOYCZXLA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.34
Rot. Bonds3

About 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one

3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one (PubChem CID 115012084) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one
PubChem CID115012084
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one
SMILESCC(C)CC1(CN)CC(=O)C1
InChIInChI=1S/C9H17NO/c1-7(2)3-9(6-10)4-8(11)5-9/h7H,3-6,10H2,1-2H3
InChIKeyGKYMVTGOYCZXLA-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-3-ethylcyclobutan-1-one
CID 115011153
(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one
CID 102408450
[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 65408100
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
CID 82505874
2-[1-(2-methylpropyl)cyclopropyl]ethanamine
CID 82418022
Tempone
CID 520789
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
2,2-bis(2-methylpropyl)-1,3-dioxane-4,6-dione
CID 23303482
1-[1-(aminomethyl)cyclopentyl]propan-2-ol
CID 130514677
3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione
CID 114867239
N-[1-(2-methylpropyl)-3-oxocyclopentyl]acetamide
CID 59050110

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one?
The IUPAC name of 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one (CID 115012084) is 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one.
What is the SMILES notation for 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one?
The canonical SMILES for 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one is CC(C)CC1(CN)CC(=O)C1.
What is the InChIKey of 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one?
The InChIKey is GKYMVTGOYCZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)3-9(6-10)4-8(11)5-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one?
3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(2-methylpropyl)cyclobutan-1-one is sourced from PubChem (CID 115012084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).