N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride

C7H20Cl2N2S — CID 45261792

IUPACN'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCCCSCCNCCN.Cl.Cl
InChIInChI=1S/C7H18N2S.2ClH/c1-2-6-10-7-5-9-4-3-8;;/h9H,2-8H2,1H3;2*1H
InChIKeyZMCQFOOYYSAAHW-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.52
Rot. Bonds7

About N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride

N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 45261792) has the molecular formula C7H20Cl2N2S and a molecular weight of 235.22 g/mol. Its IUPAC name is N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID45261792
Molecular FormulaC7H20Cl2N2S
Molecular Weight235.22 g/mol
Exact Mass234.07
IUPAC NameN'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCCCSCCNCCN.Cl.Cl
InChIInChI=1S/C7H18N2S.2ClH/c1-2-6-10-7-5-9-4-3-8;;/h9H,2-8H2,1H3;2*1H
InChIKeyZMCQFOOYYSAAHW-UHFFFAOYSA-N
XLogP1.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-butylsulfanylethyl)ethane-1,2-diamine
CID 11275341
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
3,3-dimethyl-N-(2-propylsulfanylethyl)butan-1-amine
CID 62576115
N-propyl-4-propylsulfanylbutan-1-amine
CID 62578177
2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
CID 3428035
azane;N'-propylethane-1,2-diamine
CID 87476258
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
N'-henicosylethane-1,2-diamine
CID 22930907
N'-docosylethane-1,2-diamine
CID 18783196
cyclopropane;N'-propylethane-1,2-diamine
CID 175530712
2-butylsulfanyl-N-(2-butylsulfanylethyl)ethanamine;oxalic acid
CID 46786043

Frequently Asked Questions

What is the IUPAC name of N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (CID 45261792) is N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride is CCCSCCNCCN.Cl.Cl.
What is the InChIKey of N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is ZMCQFOOYYSAAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S.2ClH/c1-2-6-10-7-5-9-4-3-8;;/h9H,2-8H2,1H3;2*1H.
What are the key properties of N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 235.22 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 45261792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).