1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one

C9H17NO2 — CID 116599421

IUPAC1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
SMILESCOCC(=O)CC1(CN)CCC1
InChIInChI=1S/C9H17NO2/c1-12-6-8(11)5-9(7-10)3-2-4-9/h2-7,10H2,1H3
InChIKeyFQOAXDAZOLJOOD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.72
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one

1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one (PubChem CID 116599421) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
PubChem CID116599421
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
SMILESCOCC(=O)CC1(CN)CCC1
InChIInChI=1S/C9H17NO2/c1-12-6-8(11)5-9(7-10)3-2-4-9/h2-7,10H2,1H3
InChIKeyFQOAXDAZOLJOOD-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-ethoxypropan-2-one
CID 116614286
cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162285
1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161403
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
1-[1-(aminomethyl)cyclobutyl]-4-methylidenehexan-2-one
CID 116599628
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161039

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one (CID 116599421) is 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one is COCC(=O)CC1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one?
The InChIKey is FQOAXDAZOLJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-6-8(11)5-9(7-10)3-2-4-9/h2-7,10H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one?
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one is sourced from PubChem (CID 116599421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).