4-ethyl-2-methyl-2-(methylamino)hexan-3-one

C10H21NO — CID 116566544

IUPAC4-ethyl-2-methyl-2-(methylamino)hexan-3-one
SMILESCCC(CC)C(=O)C(C)(C)NC
InChIInChI=1S/C10H21NO/c1-6-8(7-2)9(12)10(3,4)11-5/h8,11H,6-7H2,1-5H3
InChIKeyPFTWQRKLWDJDNM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds5

About 4-ethyl-2-methyl-2-(methylamino)hexan-3-one

4-ethyl-2-methyl-2-(methylamino)hexan-3-one (PubChem CID 116566544) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2-(methylamino)hexan-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-2-(methylamino)hexan-3-one
PubChem CID116566544
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-ethyl-2-methyl-2-(methylamino)hexan-3-one
SMILESCCC(CC)C(=O)C(C)(C)NC
InChIInChI=1S/C10H21NO/c1-6-8(7-2)9(12)10(3,4)11-5/h8,11H,6-7H2,1-5H3
InChIKeyPFTWQRKLWDJDNM-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,2-dimethylhexan-3-one
CID 15584308
(2S)-1-hydroxy-4-methyl-4-(methylamino)-2-(pentan-3-ylamino)pentan-3-one
CID 166714550
2-methyl-2-(methylamino)-N-pentan-3-ylpropanamide
CID 62836185
3-amino-5-ethyl-3-methylheptan-4-one
CID 116590488
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
N-tert-butyl-N-methyl-2-(methylaminomethyl)butanamide
CID 115188782
CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
3,3,5-triethylheptane-2,4-dione
CID 141275596
5-tert-butyl-3,7-diethylnonane-4,6-dione
CID 19371353
1-hydroxy-3-methyl-3-(methylamino)butan-2-one
CID 155655031

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-2-(methylamino)hexan-3-one?
The IUPAC name of 4-ethyl-2-methyl-2-(methylamino)hexan-3-one (CID 116566544) is 4-ethyl-2-methyl-2-(methylamino)hexan-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-2-(methylamino)hexan-3-one?
The canonical SMILES for 4-ethyl-2-methyl-2-(methylamino)hexan-3-one is CCC(CC)C(=O)C(C)(C)NC.
What is the InChIKey of 4-ethyl-2-methyl-2-(methylamino)hexan-3-one?
The InChIKey is PFTWQRKLWDJDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-8(7-2)9(12)10(3,4)11-5/h8,11H,6-7H2,1-5H3.
What are the key properties of 4-ethyl-2-methyl-2-(methylamino)hexan-3-one?
4-ethyl-2-methyl-2-(methylamino)hexan-3-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-2-(methylamino)hexan-3-one is sourced from PubChem (CID 116566544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).