2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine

C12H28N2S — CID 103088628

IUPAC2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)CCCSC
InChIInChI=1S/C12H28N2S/c1-5-11(2)10-14(3)12(9-13)7-6-8-15-4/h11-12H,5-10,13H2,1-4H3
InChIKeySQYNAMSQIBVUTH-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.43
Rot. Bonds9

About 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine

2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine (PubChem CID 103088628) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
PubChem CID103088628
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC Name2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)CCCSC
InChIInChI=1S/C12H28N2S/c1-5-11(2)10-14(3)12(9-13)7-6-8-15-4/h11-12H,5-10,13H2,1-4H3
InChIKeySQYNAMSQIBVUTH-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.43
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

2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
CID 103089079
2-N,4-dimethyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 43295523
N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
CID 112660954
2-N-methyl-2-N-[(4-methylphenyl)methyl]-5-methylsulfanylpentane-1,2-diamine
CID 103088584
2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 79483686
2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine
CID 103088640
2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112658412
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
CID 103088925
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088754

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine (CID 103088628) is 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine is CCC(C)CN(C)C(CN)CCCSC.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine?
The InChIKey is SQYNAMSQIBVUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-5-11(2)10-14(3)12(9-13)7-6-8-15-4/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine?
2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine has a molecular weight of 232.44 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine is sourced from PubChem (CID 103088628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).