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

C12H25N3 — CID 79496857

IUPAC5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1C(C)C
InChIInChI=1S/C12H25N3/c1-9(2)6-7-12(5)8-14-11(13)15(12)10(3)4/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyJGDHBQFDLWHVAM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.22
Rot. Bonds4

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

5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine (PubChem CID 79496857) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine
PubChem CID79496857
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1C(C)C
InChIInChI=1S/C12H25N3/c1-9(2)6-7-12(5)8-14-11(13)15(12)10(3)4/h9-10H,6-8H2,1-5H3,(H2,13,14)
InChIKeyJGDHBQFDLWHVAM-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.22
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-propan-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine (CID 79496857) is 5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine is CC(C)CCC1(C)CN=C(N)N1C(C)C.
What is the InChIKey of 5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine?
The InChIKey is JGDHBQFDLWHVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-9(2)6-7-12(5)8-14-11(13)15(12)10(3)4/h9-10H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of 5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine?
5-methyl-5-(3-methylbutyl)-1-propan-2-yl-4H-imidazol-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.22, 4 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-propan-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79496857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).