5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine

C8H13N3 — CID 143516270

IUPAC5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine
SMILESCC/C=C\c1[nH]c(C)nc1N
InChIInChI=1S/C8H13N3/c1-3-4-5-7-8(9)11-6(2)10-7/h4-5H,3,9H2,1-2H3,(H,10,11)/b5-4-
InChIKeyXUYAPUGKNOKPRP-PLNGDYQASA-N
MW151.21 g/mol
LogP1.72
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine

5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine (PubChem CID 143516270) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine
PubChem CID143516270
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine
SMILESCC/C=C\c1[nH]c(C)nc1N
InChIInChI=1S/C8H13N3/c1-3-4-5-7-8(9)11-6(2)10-7/h4-5H,3,9H2,1-2H3,(H,10,11)/b5-4-
InChIKeyXUYAPUGKNOKPRP-PLNGDYQASA-N
XLogP1.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine?
The IUPAC name of 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine (CID 143516270) is 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine is CC/C=C\c1[nH]c(C)nc1N.
What is the InChIKey of 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine?
The InChIKey is XUYAPUGKNOKPRP-PLNGDYQASA-N. The full InChI is InChI=1S/C8H13N3/c1-3-4-5-7-8(9)11-6(2)10-7/h4-5H,3,9H2,1-2H3,(H,10,11)/b5-4-.
What are the key properties of 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine?
5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine is sourced from PubChem (CID 143516270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).