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

C13H23N3 — CID 106572182

IUPAC4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCC(C)C
InChIInChI=1S/C13H23N3/c1-5-8-14-13-15-12(4)10-16(13)9-6-7-11(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeyAJTTYTVHFOOHGR-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.23
Rot. Bonds7

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

4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106572182) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106572182
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCC(C)C
InChIInChI=1S/C13H23N3/c1-5-8-14-13-15-12(4)10-16(13)9-6-7-11(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)
InChIKeyAJTTYTVHFOOHGR-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine (CID 106572182) is 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CCCC(C)C.
What is the InChIKey of 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is AJTTYTVHFOOHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-14-13-15-12(4)10-16(13)9-6-7-11(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,14,15).
What are the key properties of 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine?
4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106572182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).