1-(cyclobutylamino)propan-2-one

C7H13NO — CID 21335373

IUPAC1-(cyclobutylamino)propan-2-one
SMILESCC(=O)CNC1CCC1
InChIInChI=1S/C7H13NO/c1-6(9)5-8-7-3-2-4-7/h7-8H,2-5H2,1H3
InChIKeyBOWXILPAUUCMHB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.72
Rot. Bonds3

About 1-(cyclobutylamino)propan-2-one

1-(cyclobutylamino)propan-2-one (PubChem CID 21335373) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(cyclobutylamino)propan-2-one.

Molecular Properties

Compound Name1-(cyclobutylamino)propan-2-one
PubChem CID21335373
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(cyclobutylamino)propan-2-one
SMILESCC(=O)CNC1CCC1
InChIInChI=1S/C7H13NO/c1-6(9)5-8-7-3-2-4-7/h7-8H,2-5H2,1H3
InChIKeyBOWXILPAUUCMHB-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-methylcyclononyl)amino]methanol
CID 155469542
2-[(cyclobutylamino)methyl]prop-2-enoic acid
CID 103250129
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
2-(cyclobutylamino)-N-pentan-3-ylacetamide
CID 62413978
1-(cyclopentylamino)-5-methylhex-5-en-2-one
CID 114477892
2-(cyclododecylamino)-N,N-dimethylacetamide
CID 43214559
2-(cyclohexylamino)acetamide
CID 13444045
1-(cyclobutylmethylamino)propan-2-one
CID 115234815
1-(cyclopropylamino)propan-2-one;1-(pentylamino)propan-2-one;1-(propylamino)propan-2-one
CID 159178545
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)propan-2-one?
The IUPAC name of 1-(cyclobutylamino)propan-2-one (CID 21335373) is 1-(cyclobutylamino)propan-2-one.
What is the SMILES notation for 1-(cyclobutylamino)propan-2-one?
The canonical SMILES for 1-(cyclobutylamino)propan-2-one is CC(=O)CNC1CCC1.
What is the InChIKey of 1-(cyclobutylamino)propan-2-one?
The InChIKey is BOWXILPAUUCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)5-8-7-3-2-4-7/h7-8H,2-5H2,1H3.
What are the key properties of 1-(cyclobutylamino)propan-2-one?
1-(cyclobutylamino)propan-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)propan-2-one is sourced from PubChem (CID 21335373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).