1-butyl-N-(2-methylbutyl)imidazol-2-amine

C12H23N3 — CID 106570370

IUPAC1-butyl-N-(2-methylbutyl)imidazol-2-amine
SMILESCCCCn1ccnc1NCC(C)CC
InChIInChI=1S/C12H23N3/c1-4-6-8-15-9-7-13-12(15)14-10-11(3)5-2/h7,9,11H,4-6,8,10H2,1-3H3,(H,13,14)
InChIKeyUMPBZMYNRHWNNA-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.14
Rot. Bonds7

About 1-butyl-N-(2-methylbutyl)imidazol-2-amine

1-butyl-N-(2-methylbutyl)imidazol-2-amine (PubChem CID 106570370) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-butyl-N-(2-methylbutyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2-methylbutyl)imidazol-2-amine
PubChem CID106570370
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-butyl-N-(2-methylbutyl)imidazol-2-amine
SMILESCCCCn1ccnc1NCC(C)CC
InChIInChI=1S/C12H23N3/c1-4-6-8-15-9-7-13-12(15)14-10-11(3)5-2/h7,9,11H,4-6,8,10H2,1-3H3,(H,13,14)
InChIKeyUMPBZMYNRHWNNA-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
CID 106570341
1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580868
1-butyl-N-(3-methylpentan-2-yl)imidazol-2-amine
CID 106564650
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579152
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-methylbutyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(2-methylbutyl)imidazol-2-amine (CID 106570370) is 1-butyl-N-(2-methylbutyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2-methylbutyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2-methylbutyl)imidazol-2-amine is CCCCn1ccnc1NCC(C)CC.
What is the InChIKey of 1-butyl-N-(2-methylbutyl)imidazol-2-amine?
The InChIKey is UMPBZMYNRHWNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-8-15-9-7-13-12(15)14-10-11(3)5-2/h7,9,11H,4-6,8,10H2,1-3H3,(H,13,14).
What are the key properties of 1-butyl-N-(2-methylbutyl)imidazol-2-amine?
1-butyl-N-(2-methylbutyl)imidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-methylbutyl)imidazol-2-amine is sourced from PubChem (CID 106570370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).