5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine

C21H41N3 — CID 57079103

IUPAC5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCCCC=CCCCCCCCCC1CN=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)
InChIKeyIDRNODYNWIAJQI-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.70
Rot. Bonds16

About 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine

5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 57079103) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID57079103
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCCCC=CCCCCCCCCC1CN=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)
InChIKeyIDRNODYNWIAJQI-UHFFFAOYSA-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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Related Compounds

2-[(Z)-octadec-9-enyl]-1-[8-[[N'-[(Z)-octadec-9-enyl]carbamimidoyl]amino]octyl]guanidine
CID 172444260
1-[4-(diaminomethylideneamino)butyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172446834
1-[2-[bis(2-aminoethyl)amino]ethyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172447033
1-(4-aminobutyl)-2-[(Z)-octadec-9-enyl]guanidine
CID 172448694
2-(8-aminooctyl)-1-[(Z)-octadec-9-enyl]guanidine
CID 172459535
2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-(4-aminobutyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172462374
1-(4-aminobutyl)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]guanidine
CID 172465396
2-(8-aminooctyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172469274
1-[8-(diaminomethylideneamino)octyl]-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172471824
Di-oleyl imidazoline
CID 129701665
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631

Frequently Asked Questions

What is the IUPAC name of 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 57079103) is 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine is CCCCCCCCC=CCCCCCCCCC1CN=C(N)N1.
What is the InChIKey of 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IDRNODYNWIAJQI-UHFFFAOYSA-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).
What are the key properties of 5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine?
5-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-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 57079103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).