1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine

C12H23N3 — CID 106564923

IUPAC1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine
SMILESCCC(Nc1nc(C)cn1CC)C(C)C
InChIInChI=1S/C12H23N3/c1-6-11(9(3)4)14-12-13-10(5)8-15(12)7-2/h8-9,11H,6-7H2,1-5H3,(H,13,14)
InChIKeyLDXKQXDMKZARSZ-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.06
Rot. Bonds5

About 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine

1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine (PubChem CID 106564923) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine
PubChem CID106564923
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine
SMILESCCC(Nc1nc(C)cn1CC)C(C)C
InChIInChI=1S/C12H23N3/c1-6-11(9(3)4)14-12-13-10(5)8-15(12)7-2/h8-9,11H,6-7H2,1-5H3,(H,13,14)
InChIKeyLDXKQXDMKZARSZ-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
CID 106574492
1-ethyl-4-methyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562046
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
4-methyl-1-(2-methylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106570359
2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 106564821
1-ethyl-N-(2-methoxypropyl)-4-methylimidazol-2-amine
CID 106583458
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346
N-(2,2-dimethylcyclopropyl)-1-ethyl-4-methylimidazol-2-amine
CID 106564770
1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 106567350
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine?
The IUPAC name of 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine (CID 106564923) is 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine is CCC(Nc1nc(C)cn1CC)C(C)C.
What is the InChIKey of 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine?
The InChIKey is LDXKQXDMKZARSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-11(9(3)4)14-12-13-10(5)8-15(12)7-2/h8-9,11H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine?
1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106564923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).