2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine

C10H24N2S — CID 112660772

IUPAC2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
SMILESCCC(CN)CCN(C)CCSC
InChIInChI=1S/C10H24N2S/c1-4-10(9-11)5-6-12(2)7-8-13-3/h10H,4-9,11H2,1-3H3
InChIKeyBALRKCUJLBZEKK-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.66
Rot. Bonds8

About 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine

2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine (PubChem CID 112660772) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
PubChem CID112660772
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC Name2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
SMILESCCC(CN)CCN(C)CCSC
InChIInChI=1S/C10H24N2S/c1-4-10(9-11)5-6-12(2)7-8-13-3/h10H,4-9,11H2,1-3H3
InChIKeyBALRKCUJLBZEKK-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
CID 81080581
N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
CID 112660737
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide
CID 112658971
N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080827
N'-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81079439
2-ethylpropane-1,3-diamine
CID 14499053
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
N'-butyl-N',2-diethylbutane-1,4-diamine
CID 81079998
N',2-diethyl-N'-methylpropane-1,3-diamine;propane
CID 142151966

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
The IUPAC name of 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine (CID 112660772) is 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
The canonical SMILES for 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine is CCC(CN)CCN(C)CCSC.
What is the InChIKey of 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
The InChIKey is BALRKCUJLBZEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-4-10(9-11)5-6-12(2)7-8-13-3/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine?
2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine is sourced from PubChem (CID 112660772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).