2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine

C11H24N2S — CID 106425804

IUPAC2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
SMILESC=CCSCCNCC(CN)C(C)C
InChIInChI=1S/C11H24N2S/c1-4-6-14-7-5-13-9-11(8-12)10(2)3/h4,10-11,13H,1,5-9,12H2,2-3H3
InChIKeyYVVZFRXUUZUBOK-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.73
Rot. Bonds9

About 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine

2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine (PubChem CID 106425804) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
PubChem CID106425804
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
SMILESC=CCSCCNCC(CN)C(C)C
InChIInChI=1S/C11H24N2S/c1-4-6-14-7-5-13-9-11(8-12)10(2)3/h4,10-11,13H,1,5-9,12H2,2-3H3
InChIKeyYVVZFRXUUZUBOK-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.73
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

2-(2-methylpropylsulfanyl)-N-prop-2-enylpropan-1-amine
CID 62577354
3,3-dimethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 102672097
4-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-1-amine
CID 102672098
3-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 103578602
2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 103838307
2-methyl-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 103880542
2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 103897032
3-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine
CID 103901380
4-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-2-amine
CID 103901421
3-methyl-N-(2-prop-2-enylsulfanylethyl)butan-2-amine
CID 103901422
2-methyl-N-(2-prop-2-enylsulfanylethyl)pentan-1-amine
CID 103922830
N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine
CID 106425385

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine (CID 106425804) is 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine is C=CCSCCNCC(CN)C(C)C.
What is the InChIKey of 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
The InChIKey is YVVZFRXUUZUBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-6-14-7-5-13-9-11(8-12)10(2)3/h4,10-11,13H,1,5-9,12H2,2-3H3.
What are the key properties of 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine?
2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-(2-prop-2-enylsulfanylethyl)propane-1,3-diamine is sourced from PubChem (CID 106425804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).