5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine

C13H27N3 — CID 79496591

IUPAC5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1CC(C)C
InChIInChI=1S/C13H27N3/c1-10(2)6-7-13(5)9-15-12(14)16(13)8-11(3)4/h10-11H,6-9H2,1-5H3,(H2,14,15)
InChIKeyNUFXNAKOYJIZJJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.47
Rot. Bonds5

About 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine

5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine (PubChem CID 79496591) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine
PubChem CID79496591
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1CC(C)C
InChIInChI=1S/C13H27N3/c1-10(2)6-7-13(5)9-15-12(14)16(13)8-11(3)4/h10-11H,6-9H2,1-5H3,(H2,14,15)
InChIKeyNUFXNAKOYJIZJJ-UHFFFAOYSA-N
XLogP2.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine (CID 79496591) is 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine is CC(C)CCC1(C)CN=C(N)N1CC(C)C.
What is the InChIKey of 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine?
The InChIKey is NUFXNAKOYJIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-10(2)6-7-13(5)9-15-12(14)16(13)8-11(3)4/h10-11H,6-9H2,1-5H3,(H2,14,15).
What are the key properties of 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine?
5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-methylbutyl)-1-(2-methylpropyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79496591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).