5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

C13H25N3 — CID 79497294

IUPAC5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CCCCCC
InChIInChI=1S/C13H25N3/c1-4-6-7-8-9-13(3)11-15-12(14)16(13)10-5-2/h5H,2,4,6-11H2,1,3H3,(H2,14,15)
InChIKeyTVSSEQXFFHOLLI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.53
Rot. Bonds7

About 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79497294) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79497294
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CCCCCC
InChIInChI=1S/C13H25N3/c1-4-6-7-8-9-13(3)11-15-12(14)16(13)10-5-2/h5H,2,4,6-11H2,1,3H3,(H2,14,15)
InChIKeyTVSSEQXFFHOLLI-UHFFFAOYSA-N
XLogP2.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79497294) is 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)CCCCCC.
What is the InChIKey of 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is TVSSEQXFFHOLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-7-8-9-13(3)11-15-12(14)16(13)10-5-2/h5H,2,4,6-11H2,1,3H3,(H2,14,15).
What are the key properties of 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79497294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).