4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine

C11H19N3S — CID 106580957

IUPAC4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CC(C)SC
InChIInChI=1S/C11H19N3S/c1-5-6-12-11-13-9(2)7-14(11)8-10(3)15-4/h5,7,10H,1,6,8H2,2-4H3,(H,12,13)
InChIKeyPZQMXBCFJBUJQD-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.54
Rot. Bonds6

About 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine

4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106580957) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106580957
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CC(C)SC
InChIInChI=1S/C11H19N3S/c1-5-6-12-11-13-9(2)7-14(11)8-10(3)15-4/h5,7,10H,1,6,8H2,2-4H3,(H,12,13)
InChIKeyPZQMXBCFJBUJQD-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182
4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
CID 106578451
1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106565561
4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine
CID 106565052
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
CID 106555821
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106571490
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106580475
1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106581178
1-[1-(diethylamino)propan-2-yl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566325
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106572476

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine (CID 106580957) is 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CC(C)SC.
What is the InChIKey of 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is PZQMXBCFJBUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-6-12-11-13-9(2)7-14(11)8-10(3)15-4/h5,7,10H,1,6,8H2,2-4H3,(H,12,13).
What are the key properties of 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine?
4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106580957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).