5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine

C12H21N3 — CID 25180815

IUPAC5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine
SMILESCC(C)/C=C/CCCCc1cnc(N)[nH]1
InChIInChI=1S/C12H21N3/c1-10(2)7-5-3-4-6-8-11-9-14-12(13)15-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H3,13,14,15)/b7-5+
InChIKeyYPEOVICDIZTTMP-FNORWQNLSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds6

About 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine

5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine (PubChem CID 25180815) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine
PubChem CID25180815
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine
SMILESCC(C)/C=C/CCCCc1cnc(N)[nH]1
InChIInChI=1S/C12H21N3/c1-10(2)7-5-3-4-6-8-11-9-14-12(13)15-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H3,13,14,15)/b7-5+
InChIKeyYPEOVICDIZTTMP-FNORWQNLSA-N
XLogP2.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine (CID 25180815) is 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine is CC(C)/C=C/CCCCc1cnc(N)[nH]1.
What is the InChIKey of 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine?
The InChIKey is YPEOVICDIZTTMP-FNORWQNLSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)7-5-3-4-6-8-11-9-14-12(13)15-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H3,13,14,15)/b7-5+.
What are the key properties of 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine?
5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine is sourced from PubChem (CID 25180815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).