2-(butan-2-ylamino)-1-cyclobutylethanone

C10H19NO — CID 116556299

IUPAC2-(butan-2-ylamino)-1-cyclobutylethanone
SMILESCCC(C)NCC(=O)C1CCC1
InChIInChI=1S/C10H19NO/c1-3-8(2)11-7-10(12)9-5-4-6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyYQGLKCOMHWKFQN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds5

About 2-(butan-2-ylamino)-1-cyclobutylethanone

2-(butan-2-ylamino)-1-cyclobutylethanone (PubChem CID 116556299) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-cyclobutylethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-cyclobutylethanone
PubChem CID116556299
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(butan-2-ylamino)-1-cyclobutylethanone
SMILESCCC(C)NCC(=O)C1CCC1
InChIInChI=1S/C10H19NO/c1-3-8(2)11-7-10(12)9-5-4-6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyYQGLKCOMHWKFQN-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-methyl-3-(methylamino)hexan-2-one
CID 59960251
1-Fluoro-4-methyl-3-(methylamino)hexan-2-one
CID 156718899
2-(Tert-butylamino)-1-(3-fluorocyclobutyl)ethanone
CID 166715823
2-Hexanone, 5-methyl-3-(methylamino)-
CID 22981509
1-[3,3-Difluoro-1-(propan-2-ylamino)cyclobutyl]ethanone
CID 159406346
3-Amino-5-methyl-1-(2-methylpropylamino)hexan-2-one
CID 14180886
(S)-3-Amino-5-methyl-1-[(2-methylpropyl)amino]-2-hexanone, dihydrochloride
CID 14180887
(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one
CID 14180888
2,5-Dimethyl-4-(propan-2-ylamino)hexan-3-one
CID 18739781
2,6-Dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 18739782
3-Methyl-5-(methylamino)hexan-2-one
CID 20697248
2,5-Dimethyl-4-(methylamino)hexan-3-one
CID 21338974

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-cyclobutylethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-cyclobutylethanone (CID 116556299) is 2-(butan-2-ylamino)-1-cyclobutylethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-cyclobutylethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-cyclobutylethanone is CCC(C)NCC(=O)C1CCC1.
What is the InChIKey of 2-(butan-2-ylamino)-1-cyclobutylethanone?
The InChIKey is YQGLKCOMHWKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8(2)11-7-10(12)9-5-4-6-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-cyclobutylethanone?
2-(butan-2-ylamino)-1-cyclobutylethanone has a molecular weight of 169.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-cyclobutylethanone is sourced from PubChem (CID 116556299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).