1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one

C11H23NO — CID 43795355

IUPAC1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one
SMILESCCCN(CC)CC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-8-12(7-2)9-10(13)11(3,4)5/h6-9H2,1-5H3
InChIKeySCTWNWAXYCJFCY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds5

About 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one

1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 43795355) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one
PubChem CID43795355
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one
SMILESCCCN(CC)CC(=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-8-12(7-2)9-10(13)11(3,4)5/h6-9H2,1-5H3
InChIKeySCTWNWAXYCJFCY-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
CID 62031688
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide
CID 62029161
1-[ethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 43794888
1-[2-[bis(3,3-dimethyl-2-oxobutyl)amino]ethyl-[2-[(3,3-dimethyl-2-oxobutyl)-(2-oxobutyl)amino]ethyl]amino]-3,3-dimethylbutan-2-one
CID 146264409
[(3,3-dimethyl-2-oxobutyl)-(phosphonomethyl)amino]methylphosphonic acid
CID 58554643
1-[bis(4,4-dimethylpentyl)amino]-3,3-dimethylbutan-2-one
CID 153492284
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[[[bis(carboxymethyl)amino]methyl-(3,3-dimethyl-2-oxobutyl)amino]methyl-(carboxymethyl)amino]acetic acid
CID 89143910
2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795362
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
N,N-diethylpropan-1-amine;methane
CID 144711865

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one (CID 43795355) is 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one is CCCN(CC)CC(=O)C(C)(C)C.
What is the InChIKey of 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is SCTWNWAXYCJFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-8-12(7-2)9-10(13)11(3,4)5/h6-9H2,1-5H3.
What are the key properties of 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one?
1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 43795355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).