2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine

C11H26N2S — CID 112665572

IUPAC2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)CCSC
InChIInChI=1S/C11H26N2S/c1-6-11(9-12-10(2)3)13(4)7-8-14-5/h10-12H,6-9H2,1-5H3
InChIKeyONMABPCXGVXPRB-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.06
Rot. Bonds8

About 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine

2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 112665572) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID112665572
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Name2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)CCSC
InChIInChI=1S/C11H26N2S/c1-6-11(9-12-10(2)3)13(4)7-8-14-5/h10-12H,6-9H2,1-5H3
InChIKeyONMABPCXGVXPRB-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 112665568
1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
CID 112665676
2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62439025
2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054356
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
2-N-ethyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62420464
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112666053
3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 103227178
2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55073872
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 63837536
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine (CID 112665572) is 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine is CCC(CNC(C)C)N(C)CCSC.
What is the InChIKey of 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is ONMABPCXGVXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-6-11(9-12-10(2)3)13(4)7-8-14-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine?
2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 112665572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).