ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one

C13H29NO — CID 142312134

IUPACethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one
SMILESCC.CC(=O)C(CC(C)C)N(C)C(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-8(2)7-11(10(5)13)12(6)9(3)4;1-2/h8-9,11H,7H2,1-6H3;1-2H3
InChIKeyDVLQUCVIIFYUQU-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds5

About ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one

ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one (PubChem CID 142312134) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one.

Molecular Properties

Compound Nameethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one
PubChem CID142312134
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one
SMILESCC.CC(=O)C(CC(C)C)N(C)C(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-8(2)7-11(10(5)13)12(6)9(3)4;1-2/h8-9,11H,7H2,1-6H3;1-2H3
InChIKeyDVLQUCVIIFYUQU-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-[methyl-(5-methyl-2-oxohexan-3-yl)amino]ethyl]-N-methylpropanamide
CID 123183038
ethane;(E)-N-methyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]but-2-enamide
CID 156846174
2,2,2-trifluoro-N-methyl-N-[(3S)-5-methyl-2-oxohexan-3-yl]ethanesulfonamide
CID 166727982
4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one
CID 144581032
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
CID 131852765
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
N,N,2,5-tetramethylhex-1-en-3-amine
CID 135213995
3-[[ethyl(methyl)amino]-dihydroxymethyl]-5-methylhexan-2-one
CID 91156740
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one?
The IUPAC name of ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one (CID 142312134) is ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one.
What is the SMILES notation for ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one?
The canonical SMILES for ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one is CC.CC(=O)C(CC(C)C)N(C)C(C)C.
What is the InChIKey of ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one?
The InChIKey is DVLQUCVIIFYUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-8(2)7-11(10(5)13)12(6)9(3)4;1-2/h8-9,11H,7H2,1-6H3;1-2H3.
What are the key properties of ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one?
ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one has a molecular weight of 215.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one is sourced from PubChem (CID 142312134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).