6-[ethyl(methyl)amino]hexan-3-one

C9H19NO — CID 106801171

IUPAC6-[ethyl(methyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(C)CC
InChIInChI=1S/C9H19NO/c1-4-9(11)7-6-8-10(3)5-2/h4-8H2,1-3H3
InChIKeyIGCZRWJERRXSSH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds6

About 6-[ethyl(methyl)amino]hexan-3-one

6-[ethyl(methyl)amino]hexan-3-one (PubChem CID 106801171) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]hexan-3-one
PubChem CID106801171
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name6-[ethyl(methyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(C)CC
InChIInChI=1S/C9H19NO/c1-4-9(11)7-6-8-10(3)5-2/h4-8H2,1-3H3
InChIKeyIGCZRWJERRXSSH-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[ethyl(methyl)amino]hexan-3-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

4-[2-[ethyl(methyl)amino]ethyl-methylamino]butanamide
CID 156749996
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306
heptadecane-3,7,11,15-tetrone
CID 160942813
methane;undecane-3,9-dione
CID 158816586
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
8-[methyl(5-oxooctyl)amino]octan-4-one
CID 159906719
2-[ethyl(4-oxohexyl)amino]-N-methylacetamide
CID 106801333
10-[methyl(propan-2-yl)amino]decan-3-one
CID 176577807
1-ethyl-3-[3-[ethyl(methyl)amino]propyl]-1,3-dimethylurea
CID 160936792
6-(N-ethylanilino)hexan-3-one
CID 106801166
N-ethyl-2-[ethyl(4-oxohexyl)amino]acetamide
CID 106801389

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]hexan-3-one?
The IUPAC name of 6-[ethyl(methyl)amino]hexan-3-one (CID 106801171) is 6-[ethyl(methyl)amino]hexan-3-one.
What is the SMILES notation for 6-[ethyl(methyl)amino]hexan-3-one?
The canonical SMILES for 6-[ethyl(methyl)amino]hexan-3-one is CCC(=O)CCCN(C)CC.
What is the InChIKey of 6-[ethyl(methyl)amino]hexan-3-one?
The InChIKey is IGCZRWJERRXSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(11)7-6-8-10(3)5-2/h4-8H2,1-3H3.
What are the key properties of 6-[ethyl(methyl)amino]hexan-3-one?
6-[ethyl(methyl)amino]hexan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]hexan-3-one is sourced from PubChem (CID 106801171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).