5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine

C21H41N3 — CID 67857825

IUPAC5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC1CN=C(N)N1
InChIInChI=1S/C21H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-23-21(22)24-20/h9-10,20H,2-8,11-19H2,1H3,(H3,22,23,24)/b10-9-
InChIKeyIDRNODYNWIAJQI-KTKRTIGZSA-N
MW335.58 g/mol
LogP5.70
Rot. Bonds16

About 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine

5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 67857825) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID67857825
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC1CN=C(N)N1
InChIInChI=1S/C21H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-23-21(22)24-20/h9-10,20H,2-8,11-19H2,1H3,(H3,22,23,24)/b10-9-
InChIKeyIDRNODYNWIAJQI-KTKRTIGZSA-N
XLogP5.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.70
H-Bond Donors ≤ 52
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-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine (CID 67857825) is 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine is CCCCCCCC/C=C\CCCCCCCCC1CN=C(N)N1.
What is the InChIKey of 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IDRNODYNWIAJQI-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-23-21(22)24-20/h9-10,20H,2-8,11-19H2,1H3,(H3,22,23,24)/b10-9-.
What are the key properties of 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine?
5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 335.58 g/mol, XLogP of 5.70, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 67857825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).