1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine

C11H23N3 — CID 167770929

IUPAC1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CN(C)C1=NCCN1CC
InChIInChI=1S/C11H23N3/c1-5-10(3)9-13(4)11-12-7-8-14(11)6-2/h10H,5-9H2,1-4H3
InChIKeyJKYYBQNZSDSIDI-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.66
Rot. Bonds4

About 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine

1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 167770929) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID167770929
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CN(C)C1=NCCN1CC
InChIInChI=1S/C11H23N3/c1-5-10(3)9-13(4)11-12-7-8-14(11)6-2/h10H,5-9H2,1-4H3
InChIKeyJKYYBQNZSDSIDI-UHFFFAOYSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine (CID 167770929) is 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine is CCC(C)CN(C)C1=NCCN1CC.
What is the InChIKey of 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JKYYBQNZSDSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-10(3)9-13(4)11-12-7-8-14(11)6-2/h10H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine?
1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 197.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 167770929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).