1-(cyclobutylmethylamino)propan-2-one

C8H15NO — CID 115234815

IUPAC1-(cyclobutylmethylamino)propan-2-one
SMILESCC(=O)CNCC1CCC1
InChIInChI=1S/C8H15NO/c1-7(10)5-9-6-8-3-2-4-8/h8-9H,2-6H2,1H3
InChIKeyMZHUQZCTOQDAJI-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.97
Rot. Bonds4

About 1-(cyclobutylmethylamino)propan-2-one

1-(cyclobutylmethylamino)propan-2-one (PubChem CID 115234815) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(cyclobutylmethylamino)propan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethylamino)propan-2-one
PubChem CID115234815
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(cyclobutylmethylamino)propan-2-one
SMILESCC(=O)CNCC1CCC1
InChIInChI=1S/C8H15NO/c1-7(10)5-9-6-8-3-2-4-8/h8-9H,2-6H2,1H3
InChIKeyMZHUQZCTOQDAJI-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115235753
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1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
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2-(cyclobutylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489134
1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
CID 116557677
N-(cyclohexylmethyl)-2,3-dimethylbut-2-en-1-amine
CID 142079067
N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
CID 114615888
1-(cyclobutylamino)propan-2-one
CID 21335373
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
N-(2-cyclobutylethyl)-2-(cyclopropylmethylamino)acetamide
CID 115739981
2-(cycloheptylmethylamino)-N,N-diethylacetamide
CID 113253458

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethylamino)propan-2-one?
The IUPAC name of 1-(cyclobutylmethylamino)propan-2-one (CID 115234815) is 1-(cyclobutylmethylamino)propan-2-one.
What is the SMILES notation for 1-(cyclobutylmethylamino)propan-2-one?
The canonical SMILES for 1-(cyclobutylmethylamino)propan-2-one is CC(=O)CNCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethylamino)propan-2-one?
The InChIKey is MZHUQZCTOQDAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)5-9-6-8-3-2-4-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-(cyclobutylmethylamino)propan-2-one?
1-(cyclobutylmethylamino)propan-2-one has a molecular weight of 141.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethylamino)propan-2-one is sourced from PubChem (CID 115234815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).