2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine

C8H18N2S — CID 106425794

IUPAC2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine
SMILESC=CCSCCNC(C)CN
InChIInChI=1S/C8H18N2S/c1-3-5-11-6-4-10-8(2)7-9/h3,8,10H,1,4-7,9H2,2H3
InChIKeyCSPNXYIXDXZXRL-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.84
Rot. Bonds7

About 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine

2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine (PubChem CID 106425794) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine
PubChem CID106425794
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine
SMILESC=CCSCCNC(C)CN
InChIInChI=1S/C8H18N2S/c1-3-5-11-6-4-10-8(2)7-9/h3,8,10H,1,4-7,9H2,2H3
InChIKeyCSPNXYIXDXZXRL-UHFFFAOYSA-N
XLogP0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 144977013
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561682
N-prop-2-enyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 62567842
2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568259
N-(2-propan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62579109
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
N-[2-(3-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64052425
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863
4-methylsulfanyl-2-N-prop-2-enylbutane-1,2-diamine
CID 65384296
1-butan-2-ylsulfanyl-N-ethylbut-3-en-2-amine
CID 65587112
N-ethyl-1-ethylsulfanylbut-3-en-2-amine
CID 65588772

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine (CID 106425794) is 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine is C=CCSCCNC(C)CN.
What is the InChIKey of 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine?
The InChIKey is CSPNXYIXDXZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-3-5-11-6-4-10-8(2)7-9/h3,8,10H,1,4-7,9H2,2H3.
What are the key properties of 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine?
2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine has a molecular weight of 174.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-prop-2-enylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 106425794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).