4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine

C12H23N3 — CID 106557292

IUPAC4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1CCC(C)C
InChIInChI=1S/C12H23N3/c1-5-7-13-12-14-11(4)9-15(12)8-6-10(2)3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyVXNUUQMXXVVAGB-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.06
Rot. Bonds6

About 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine

4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine (PubChem CID 106557292) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
PubChem CID106557292
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1CCC(C)C
InChIInChI=1S/C12H23N3/c1-5-7-13-12-14-11(4)9-15(12)8-6-10(2)3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyVXNUUQMXXVVAGB-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
4-methyl-1-(3-phenylbutyl)-N-propylimidazol-2-amine
CID 106572132
4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
CID 106579279
4-methyl-N-propyl-1-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563289
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
4-methyl-N-(2-methylsulfinylethyl)-1-propylimidazol-2-amine
CID 106581398
4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
CID 106578451
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-propylimidazol-2-amine
CID 106567050

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine (CID 106557292) is 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine is CCCNc1nc(C)cn1CCC(C)C.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine?
The InChIKey is VXNUUQMXXVVAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-13-12-14-11(4)9-15(12)8-6-10(2)3/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine?
4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine is sourced from PubChem (CID 106557292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).