5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine

C15H25N3 — CID 170231382

IUPAC5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine
SMILESC=C/C(=C\c1[nH]c(C)nc1N)C(CCC)CCC
InChIInChI=1S/C15H25N3/c1-5-8-13(9-6-2)12(7-3)10-14-15(16)18-11(4)17-14/h7,10,13H,3,5-6,8-9,16H2,1-2,4H3,(H,17,18)/b12-10+
InChIKeyUKDSTMYAKZVHFI-ZRDIBKRKSA-N
MW247.39 g/mol
LogP4.09
Rot. Bonds7

About 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine

5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine (PubChem CID 170231382) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine
PubChem CID170231382
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine
SMILESC=C/C(=C\c1[nH]c(C)nc1N)C(CCC)CCC
InChIInChI=1S/C15H25N3/c1-5-8-13(9-6-2)12(7-3)10-14-15(16)18-11(4)17-14/h7,10,13H,3,5-6,8-9,16H2,1-2,4H3,(H,17,18)/b12-10+
InChIKeyUKDSTMYAKZVHFI-ZRDIBKRKSA-N
XLogP4.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine?
The IUPAC name of 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine (CID 170231382) is 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine.
What is the SMILES notation for 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine?
The canonical SMILES for 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine is C=C/C(=C\c1[nH]c(C)nc1N)C(CCC)CCC.
What is the InChIKey of 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine?
The InChIKey is UKDSTMYAKZVHFI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-8-13(9-6-2)12(7-3)10-14-15(16)18-11(4)17-14/h7,10,13H,3,5-6,8-9,16H2,1-2,4H3,(H,17,18)/b12-10+.
What are the key properties of 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine?
5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine has a molecular weight of 247.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-ethenyl-3-propylhex-1-enyl]-2-methyl-1H-imidazol-4-amine is sourced from PubChem (CID 170231382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).