1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine

C10H17N3S — CID 106573669

IUPAC1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CCCSC
InChIInChI=1S/C10H17N3S/c1-3-5-11-10-12-6-8-13(10)7-4-9-14-2/h3,6,8H,1,4-5,7,9H2,2H3,(H,11,12)
InChIKeyCCERFIMSXYSPAT-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.23
Rot. Bonds7

About 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine

1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106573669) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106573669
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CCCSC
InChIInChI=1S/C10H17N3S/c1-3-5-11-10-12-6-8-13(10)7-4-9-14-2/h3,6,8H,1,4-5,7,9H2,2H3,(H,11,12)
InChIKeyCCERFIMSXYSPAT-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[2-(2-methoxyethoxy)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106564442
1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
CID 106575242
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106581944
1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106581296
1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
CID 106563055
1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106583268
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine (CID 106573669) is 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1CCCSC.
What is the InChIKey of 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is CCERFIMSXYSPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-5-11-10-12-6-8-13(10)7-4-9-14-2/h3,6,8H,1,4-5,7,9H2,2H3,(H,11,12).
What are the key properties of 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106573669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).