4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine

C14H25N3 — CID 106578451

IUPAC4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCCC(C)C
InChIInChI=1S/C14H25N3/c1-5-9-15-14-16-13(4)11-17(14)10-7-6-8-12(2)3/h5,11-12H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyDKTGFGKMVMKSDV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds8

About 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine

4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106578451) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106578451
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCCC(C)C
InChIInChI=1S/C14H25N3/c1-5-9-15-14-16-13(4)11-17(14)10-7-6-8-12(2)3/h5,11-12H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyDKTGFGKMVMKSDV-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
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

4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182
1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106565561
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106581178
4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106580957
4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine
CID 106565052
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106571490
N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
CID 106578468
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
CID 106557292
4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
CID 106555821
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine (CID 106578451) is 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CCCCC(C)C.
What is the InChIKey of 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is DKTGFGKMVMKSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-9-15-14-16-13(4)11-17(14)10-7-6-8-12(2)3/h5,11-12H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine?
4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106578451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).