1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine

C11H26N2S — CID 112665676

IUPAC1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
SMILESCCCC(CNCC)N(C)CCSC
InChIInChI=1S/C11H26N2S/c1-5-7-11(10-12-6-2)13(3)8-9-14-4/h11-12H,5-10H2,1-4H3
InChIKeyJLNVPXFVHUMGNO-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.06
Rot. Bonds9

About 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine

1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine (PubChem CID 112665676) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
PubChem CID112665676
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Name1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
SMILESCCCC(CNCC)N(C)CCSC
InChIInChI=1S/C11H26N2S/c1-5-7-11(10-12-6-2)13(3)8-9-14-4/h11-12H,5-10H2,1-4H3
InChIKeyJLNVPXFVHUMGNO-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054722
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
CID 162382785
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 105418038
2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 112665572
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054328
2-N,2-N-bis(2-ethoxyethyl)-1-N-ethylpentane-1,2-diamine
CID 83046420
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 103227178
1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine (CID 112665676) is 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine is CCCC(CNCC)N(C)CCSC.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine?
The InChIKey is JLNVPXFVHUMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-5-7-11(10-12-6-2)13(3)8-9-14-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine is sourced from PubChem (CID 112665676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).