N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine

C10H24N2S — CID 114525279

IUPACN',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
SMILESCSCCC(C)NCCCN(C)C
InChIInChI=1S/C10H24N2S/c1-10(6-9-13-4)11-7-5-8-12(2)3/h10-11H,5-9H2,1-4H3
InChIKeyLEUWYPDYXGUGHN-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.67
Rot. Bonds8

About N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine

N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine (PubChem CID 114525279) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
PubChem CID114525279
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC NameN',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
SMILESCSCCC(C)NCCCN(C)C
InChIInChI=1S/C10H24N2S/c1-10(6-9-13-4)11-7-5-8-12(2)3/h10-11H,5-9H2,1-4H3
InChIKeyLEUWYPDYXGUGHN-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.67
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-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
4-(4-methylsulfanylbutylamino)pentan-1-ol
CID 115972036
3-[2-(dimethylamino)ethylamino]butan-1-ol
CID 83176952
N-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
CID 57022854
1-N-[3-(dimethylamino)propyl]-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63694168
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine (CID 114525279) is N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine is CSCCC(C)NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The InChIKey is LEUWYPDYXGUGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-10(6-9-13-4)11-7-5-8-12(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 114525279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).