3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one

C11H19NO — CID 116558426

IUPAC3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
SMILESCC(N)(C(=O)CC1CCC1)C1CC1
InChIInChI=1S/C11H19NO/c1-11(12,9-5-6-9)10(13)7-8-3-2-4-8/h8-9H,2-7,12H2,1H3
InChIKeyGLUGJEUHBWBPOR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds4

About 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one

3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one (PubChem CID 116558426) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
PubChem CID116558426
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
SMILESCC(N)(C(=O)CC1CCC1)C1CC1
InChIInChI=1S/C11H19NO/c1-11(12,9-5-6-9)10(13)7-8-3-2-4-8/h8-9H,2-7,12H2,1H3
InChIKeyGLUGJEUHBWBPOR-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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CID 116558356
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CID 116558377
2-amino-2-cyclopropylhept-5-yn-3-one
CID 116558409
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
2-amino-N-(2-cyclopentylethyl)-2-cyclopropylpropanamide
CID 60919572
(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
CID 67723227
2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
CID 70289577
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069007
2-amino-2-cyclopropyl-N-(cyclopropylmethyl)propanamide
CID 60867867
1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
CID 116566140

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one?
The IUPAC name of 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one (CID 116558426) is 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one.
What is the SMILES notation for 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one?
The canonical SMILES for 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one is CC(N)(C(=O)CC1CCC1)C1CC1.
What is the InChIKey of 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one?
The InChIKey is GLUGJEUHBWBPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(12,9-5-6-9)10(13)7-8-3-2-4-8/h8-9H,2-7,12H2,1H3.
What are the key properties of 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one?
3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one is sourced from PubChem (CID 116558426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).