N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine

C10H24N2S — CID 167204862

IUPACN,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine
SMILESCCCSCCN(C)CCCNC
InChIInChI=1S/C10H24N2S/c1-4-9-13-10-8-12(3)7-5-6-11-2/h11H,4-10H2,1-3H3
InChIKeyMWPGRRHCUUNDNI-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.67
Rot. Bonds9

About N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine

N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine (PubChem CID 167204862) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine
PubChem CID167204862
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC NameN,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine
SMILESCCCSCCN(C)CCCNC
InChIInChI=1S/C10H24N2S/c1-4-9-13-10-8-12(3)7-5-6-11-2/h11H,4-10H2,1-3H3
InChIKeyMWPGRRHCUUNDNI-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N-methyl-4-pentylsulfanylbutan-1-amine
CID 107757081
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 90738299
3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol
CID 82850479
N-methyl-N-[2-(propyldisulfanyl)ethyl]nonan-1-amine
CID 176996000
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine (CID 167204862) is N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine is CCCSCCN(C)CCCNC.
What is the InChIKey of N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine?
The InChIKey is MWPGRRHCUUNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S/c1-4-9-13-10-8-12(3)7-5-6-11-2/h11H,4-10H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine?
N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine has a molecular weight of 204.38 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-propylsulfanylethyl)propane-1,3-diamine is sourced from PubChem (CID 167204862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).