1-butyl-5-methyl-4,5-dihydroimidazol-2-amine

C8H17N3 — CID 45088437

IUPAC1-butyl-5-methyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NCC1C
InChIInChI=1S/C8H17N3/c1-3-4-5-11-7(2)6-10-8(11)9/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyRDGJPHQMOKAQTF-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.81
Rot. Bonds3

About 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine

1-butyl-5-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 45088437) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-5-methyl-4,5-dihydroimidazol-2-amine
PubChem CID45088437
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-butyl-5-methyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NCC1C
InChIInChI=1S/C8H17N3/c1-3-4-5-11-7(2)6-10-8(11)9/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyRDGJPHQMOKAQTF-UHFFFAOYSA-N
XLogP0.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine (CID 45088437) is 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine is CCCCN1C(N)=NCC1C.
What is the InChIKey of 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is RDGJPHQMOKAQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-4-5-11-7(2)6-10-8(11)9/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine?
1-butyl-5-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 155.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 45088437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).