6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide

C12H26N2OS — CID 112658971

IUPAC6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide
SMILESCCC(CCN)CCC(=O)N(C)CCSC
InChIInChI=1S/C12H26N2OS/c1-4-11(7-8-13)5-6-12(15)14(2)9-10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyJLBNHMROMHELII-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.96
Rot. Bonds9

About 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide

6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide (PubChem CID 112658971) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide
PubChem CID112658971
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide
SMILESCCC(CCN)CCC(=O)N(C)CCSC
InChIInChI=1S/C12H26N2OS/c1-4-11(7-8-13)5-6-12(15)14(2)9-10-16-3/h11H,4-10,13H2,1-3H3
InChIKeyJLBNHMROMHELII-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(2-ethoxyethyl)-4-ethyl-N-methylhexanamide
CID 81059329
6-amino-4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-methylhexanamide
CID 114243064
6-amino-4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylhexanamide
CID 79379037
4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
8-amino-6-ethyloctan-3-one
CID 116578085
6-amino-N-ethoxy-4-ethylhexanamide
CID 64974724
N-(3-aminopropyl)-3-[ethyl(2-ethylbutyl)amino]-N-methylpropanamide
CID 43588424
3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
CID 112658917
2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112660772
2-[(6-amino-4-ethylhexanoyl)-prop-2-ynylamino]acetic acid
CID 79272924
6-amino-1-cyclopropyl-4-ethylhexan-1-one
CID 116578317
N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 112697996

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide (CID 112658971) is 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide is CCC(CCN)CCC(=O)N(C)CCSC.
What is the InChIKey of 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide?
The InChIKey is JLBNHMROMHELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-11(7-8-13)5-6-12(15)14(2)9-10-16-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide?
6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide has a molecular weight of 246.42 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide is sourced from PubChem (CID 112658971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).