4-[cyclopropyl(ethyl)amino]butan-2-one

C9H17NO — CID 43243301

IUPAC4-[cyclopropyl(ethyl)amino]butan-2-one
SMILESCCN(CCC(C)=O)C1CC1
InChIInChI=1S/C9H17NO/c1-3-10(9-4-5-9)7-6-8(2)11/h9H,3-7H2,1-2H3
InChIKeyAAKDIGBNBHCUGY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds5

About 4-[cyclopropyl(ethyl)amino]butan-2-one

4-[cyclopropyl(ethyl)amino]butan-2-one (PubChem CID 43243301) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]butan-2-one
PubChem CID43243301
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-[cyclopropyl(ethyl)amino]butan-2-one
SMILESCCN(CCC(C)=O)C1CC1
InChIInChI=1S/C9H17NO/c1-3-10(9-4-5-9)7-6-8(2)11/h9H,3-7H2,1-2H3
InChIKeyAAKDIGBNBHCUGY-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
CID 169177393
1-[4-[ethyl(2-hydroxyethyl)amino]piperidin-1-yl]ethanone
CID 66565461
4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248437
methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
[4-(diethylamino)cyclohexyl] acetate
CID 174440980
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
3-[ethyl-(4-ethylcyclohexyl)amino]propanethioamide
CID 64750245
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
CID 63027479
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264
(2S)-2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 103814330

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]butan-2-one?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]butan-2-one (CID 43243301) is 4-[cyclopropyl(ethyl)amino]butan-2-one.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]butan-2-one?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]butan-2-one is CCN(CCC(C)=O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]butan-2-one?
The InChIKey is AAKDIGBNBHCUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10(9-4-5-9)7-6-8(2)11/h9H,3-7H2,1-2H3.
What are the key properties of 4-[cyclopropyl(ethyl)amino]butan-2-one?
4-[cyclopropyl(ethyl)amino]butan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]butan-2-one is sourced from PubChem (CID 43243301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).