2-methyl-N'-methylsulfanylpentane-1,5-diamine

C7H18N2S — CID 138605818

IUPAC2-methyl-N'-methylsulfanylpentane-1,5-diamine
SMILESCSNCCCC(C)CN
InChIInChI=1S/C7H18N2S/c1-7(6-8)4-3-5-9-10-2/h7,9H,3-6,8H2,1-2H3
InChIKeyACDBJBFQFMJXEH-UHFFFAOYSA-N
MW162.30 g/mol
LogP1.23
Rot. Bonds6

About 2-methyl-N'-methylsulfanylpentane-1,5-diamine

2-methyl-N'-methylsulfanylpentane-1,5-diamine (PubChem CID 138605818) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-methyl-N'-methylsulfanylpentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-methylsulfanylpentane-1,5-diamine
PubChem CID138605818
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC Name2-methyl-N'-methylsulfanylpentane-1,5-diamine
SMILESCSNCCCC(C)CN
InChIInChI=1S/C7H18N2S/c1-7(6-8)4-3-5-9-10-2/h7,9H,3-6,8H2,1-2H3
InChIKeyACDBJBFQFMJXEH-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-methylsulfanylpentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-methylsulfanylpentane-1,5-diamine (CID 138605818) is 2-methyl-N'-methylsulfanylpentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-methylsulfanylpentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-methylsulfanylpentane-1,5-diamine is CSNCCCC(C)CN.
What is the InChIKey of 2-methyl-N'-methylsulfanylpentane-1,5-diamine?
The InChIKey is ACDBJBFQFMJXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-7(6-8)4-3-5-9-10-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-N'-methylsulfanylpentane-1,5-diamine?
2-methyl-N'-methylsulfanylpentane-1,5-diamine has a molecular weight of 162.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-methylsulfanylpentane-1,5-diamine is sourced from PubChem (CID 138605818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).