N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine

C15H34N2S — CID 112665724

IUPACN'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
SMILESCCC(CSC)N(C)CCCCCNCC(C)C
InChIInChI=1S/C15H34N2S/c1-6-15(13-18-5)17(4)11-9-7-8-10-16-12-14(2)3/h14-16H,6-13H2,1-5H3
InChIKeyCLYJDFBSUBUFMK-UHFFFAOYSA-N
MW274.52 g/mol
LogP3.48
Rot. Bonds12

About N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine

N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine (PubChem CID 112665724) has the molecular formula C15H34N2S and a molecular weight of 274.52 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
PubChem CID112665724
Molecular FormulaC15H34N2S
Molecular Weight274.52 g/mol
Exact Mass274.24
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
SMILESCCC(CSC)N(C)CCCCCNCC(C)C
InChIInChI=1S/C15H34N2S/c1-6-15(13-18-5)17(4)11-9-7-8-10-16-12-14(2)3/h14-16H,6-13H2,1-5H3
InChIKeyCLYJDFBSUBUFMK-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 53.48
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'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987811
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N-methyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987455
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
CID 112661084

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine (CID 112665724) is N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine is CCC(CSC)N(C)CCCCCNCC(C)C.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine?
The InChIKey is CLYJDFBSUBUFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2S/c1-6-15(13-18-5)17(4)11-9-7-8-10-16-12-14(2)3/h14-16H,6-13H2,1-5H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine has a molecular weight of 274.52 g/mol, XLogP of 3.48, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 112665724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).