N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine

C11H26N2S — CID 112663777

IUPACN,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)CCSC
InChIInChI=1S/C11H26N2S/c1-5-6-12-9-11(2)10-13(3)7-8-14-4/h11-12H,5-10H2,1-4H3
InChIKeyVIHCXFWMAJWDLE-UHFFFAOYSA-N
MW218.41 g/mol
LogP1.92
Rot. Bonds9

About N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine

N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine (PubChem CID 112663777) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
PubChem CID112663777
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)CCSC
InChIInChI=1S/C11H26N2S/c1-5-6-12-9-11(2)10-13(3)7-8-14-4/h11-12H,5-10H2,1-4H3
InChIKeyVIHCXFWMAJWDLE-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 51.92
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-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63699519
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
N'-methyl-N-(3-methylbutyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666080
N-ethyl-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62420843
N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915866
2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
CID 112666040

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine (CID 112663777) is N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine is CCCNCC(C)CN(C)CCSC.
What is the InChIKey of N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is VIHCXFWMAJWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-5-6-12-9-11(2)10-13(3)7-8-14-4/h11-12H,5-10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine?
N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 218.41 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 112663777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).