N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine

C11H26N2S — CID 112660737

IUPACN'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
SMILESCSCCN(C)CCCCCCCN
InChIInChI=1S/C11H26N2S/c1-13(10-11-14-2)9-7-5-3-4-6-8-12/h3-12H2,1-2H3
InChIKeyYNLRADAKPIRMNK-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.19
Rot. Bonds10

About N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine

N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine (PubChem CID 112660737) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
PubChem CID112660737
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine
SMILESCSCCN(C)CCCCCCCN
InChIInChI=1S/C11H26N2S/c1-13(10-11-14-2)9-7-5-3-4-6-8-12/h3-12H2,1-2H3
InChIKeyYNLRADAKPIRMNK-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[2-[8-aminooctyl(methyl)amino]ethyldisulfanyl]ethyl]-N'-methyloctane-1,8-diamine
CID 12676116
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide
CID 112660222
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylpentane-1,5-diamine
CID 3465925
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine?
The IUPAC name of N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine (CID 112660737) is N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine is CSCCN(C)CCCCCCCN.
What is the InChIKey of N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine?
The InChIKey is YNLRADAKPIRMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-13(10-11-14-2)9-7-5-3-4-6-8-12/h3-12H2,1-2H3.
What are the key properties of N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine?
N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylsulfanylethyl)heptane-1,7-diamine is sourced from PubChem (CID 112660737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).