4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one

C13H27NO — CID 161192444

IUPAC4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCCC(CC)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C13H27NO/c1-8-13(9-2,12(15)10(3)4)14(7)11(5)6/h10-11H,8-9H2,1-7H3
InChIKeyKQUWBKDIUVLKQV-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds6

About 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one

4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one (PubChem CID 161192444) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one
PubChem CID161192444
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCCC(CC)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C13H27NO/c1-8-13(9-2,12(15)10(3)4)14(7)11(5)6/h10-11H,8-9H2,1-7H3
InChIKeyKQUWBKDIUVLKQV-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 90351457
(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione
CID 118300534
2-ethyl-2-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 114996709
2-methanidyl-4-methyl-2-[methyl(propan-2-yl)amino]pentan-3-one;propane;yttrium;yttrium(3+)
CID 160825109
4-(diethylamino)-2,4-dimethylhexan-3-one
CID 79063676
4-amino-2,4-dimethylhexan-3-one
CID 116590206
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
CID 114989090
2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351471
dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione
CID 157274123
2-ethyl-2-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 114996711
2-bromo-2-ethyl-4-methyl-3-oxopentanoic acid
CID 150517992
N,2-dimethyl-N-propan-2-ylpropanamide;N,2,3-trimethyl-N-propan-2-ylbutan-2-amine
CID 159310191

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one?
The IUPAC name of 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one (CID 161192444) is 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one?
The canonical SMILES for 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one is CCC(CC)(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one?
The InChIKey is KQUWBKDIUVLKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-8-13(9-2,12(15)10(3)4)14(7)11(5)6/h10-11H,8-9H2,1-7H3.
What are the key properties of 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one?
4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one has a molecular weight of 213.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-4-[methyl(propan-2-yl)amino]hexan-3-one is sourced from PubChem (CID 161192444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).