N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine

C11H26N2S — CID 112660954

IUPACN,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
SMILESCCC(CSC)N(C)CC(C)CCN
InChIInChI=1S/C11H26N2S/c1-5-11(9-14-4)13(3)8-10(2)6-7-12/h10-11H,5-9,12H2,1-4H3
InChIKeyNVERRXPOROHXNP-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.04
Rot. Bonds8

About N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine

N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine (PubChem CID 112660954) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
PubChem CID112660954
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
SMILESCCC(CSC)N(C)CC(C)CCN
InChIInChI=1S/C11H26N2S/c1-5-11(9-14-4)13(3)8-10(2)6-7-12/h10-11H,5-9,12H2,1-4H3
InChIKeyNVERRXPOROHXNP-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
CID 80544220
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088628
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112661509
methyl 2-bromo-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoate
CID 112661543
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112658412
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 43571008
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 43295523
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine?
The IUPAC name of N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine (CID 112660954) is N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine is CCC(CSC)N(C)CC(C)CCN.
What is the InChIKey of N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine?
The InChIKey is NVERRXPOROHXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-5-11(9-14-4)13(3)8-10(2)6-7-12/h10-11H,5-9,12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine?
N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 112660954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).