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

C10H24N2S — CID 112661084

IUPACN,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
SMILESCNCCCCN(C)C(C)CSC
InChIInChI=1S/C10H24N2S/c1-10(9-13-4)12(3)8-6-5-7-11-2/h10-11H,5-9H2,1-4H3
InChIKeySEAVEBRQPDPGCV-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.67
Rot. Bonds8

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

N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine (PubChem CID 112661084) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
PubChem CID112661084
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC NameN,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
SMILESCNCCCCN(C)C(C)CSC
InChIInChI=1S/C10H24N2S/c1-10(9-13-4)12(3)8-6-5-7-11-2/h10-11H,5-9H2,1-4H3
InChIKeySEAVEBRQPDPGCV-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
CID 112667562
N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667401
N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine
CID 115873128
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexanoic acid
CID 112661582
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112661159
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112661279
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine (CID 112661084) is N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine is CNCCCCN(C)C(C)CSC.
What is the InChIKey of N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine?
The InChIKey is SEAVEBRQPDPGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-10(9-13-4)12(3)8-6-5-7-11-2/h10-11H,5-9H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine?
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 112661084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).