2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine

C12H28N2S2 — CID 103089079

IUPAC2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
SMILESCSCCCC(CN)N(C)C(C)CCSC
InChIInChI=1S/C12H28N2S2/c1-11(7-9-16-4)14(2)12(10-13)6-5-8-15-3/h11-12H,5-10,13H2,1-4H3
InChIKeyWGSIWILCOVUXAW-UHFFFAOYSA-N
MW264.50 g/mol
LogP2.53
Rot. Bonds10

About 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine

2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine (PubChem CID 103089079) has the molecular formula C12H28N2S2 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
PubChem CID103089079
Molecular FormulaC12H28N2S2
Molecular Weight264.50 g/mol
Exact Mass264.17
IUPAC Name2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
SMILESCSCCCC(CN)N(C)C(C)CCSC
InChIInChI=1S/C12H28N2S2/c1-11(7-9-16-4)14(2)12(10-13)6-5-8-15-3/h11-12H,5-10,13H2,1-4H3
InChIKeyWGSIWILCOVUXAW-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-butan-2-yl-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 60810848
2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088628
2-N-methyl-4-methylsulfanyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112658412
2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine
CID 103088640
2-N-methyl-2-N-[(4-methylphenyl)methyl]-5-methylsulfanylpentane-1,2-diamine
CID 103088584
2-N-methyl-2-N-(3-methylbutan-2-yl)hexane-1,2-diamine
CID 61353943
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 102839988
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088754
2-N-(2-methylpropyl)-4-methylsulfanyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 79483686
2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
CID 103088925
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 61412209
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 114453537

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine (CID 103089079) is 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine is CSCCCC(CN)N(C)C(C)CCSC.
What is the InChIKey of 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine?
The InChIKey is WGSIWILCOVUXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S2/c1-11(7-9-16-4)14(2)12(10-13)6-5-8-15-3/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine?
2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine has a molecular weight of 264.50 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 103089079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).