5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine

C19H35N3 — CID 158947561

IUPAC5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine
SMILESCCCCCCC/C=C\CCCCCCCc1cnc(N)[nH]1
InChIInChI=1S/C19H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-21-19(20)22-18/h8-9,17H,2-7,10-16H2,1H3,(H3,20,21,22)/b9-8-
InChIKeyJKZYBKGBRWHDEG-HJWRWDBZSA-N
MW305.51 g/mol
LogP5.79
Rot. Bonds14

About 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine

5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine (PubChem CID 158947561) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine
PubChem CID158947561
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine
SMILESCCCCCCC/C=C\CCCCCCCc1cnc(N)[nH]1
InChIInChI=1S/C19H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-21-19(20)22-18/h8-9,17H,2-7,10-16H2,1H3,(H3,20,21,22)/b9-8-
InChIKeyJKZYBKGBRWHDEG-HJWRWDBZSA-N
XLogP5.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.79
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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Related Compounds

5-heptadecyl-1H-imidazol-2-amine
CID 25178085
2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
CID 175074966
5-[(E)-7-methyloct-5-enyl]-1H-imidazol-2-amine
CID 25180815
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
CID 25178089
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide;hydrochloride
CID 25178088
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine (CID 158947561) is 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine is CCCCCCC/C=C\CCCCCCCc1cnc(N)[nH]1.
What is the InChIKey of 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine?
The InChIKey is JKZYBKGBRWHDEG-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-21-19(20)22-18/h8-9,17H,2-7,10-16H2,1H3,(H3,20,21,22)/b9-8-.
What are the key properties of 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine?
5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine has a molecular weight of 305.51 g/mol, XLogP of 5.79, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hexadec-8-enyl]-1H-imidazol-2-amine is sourced from PubChem (CID 158947561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).