2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol

C22H44N2O — CID 142741314

IUPAC2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCC1NCCN1CCO
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,22-23,25H,2-8,11-21H2,1H3/b10-9-
InChIKeyZMZPQVKGKIHSIE-KTKRTIGZSA-N
MW352.61 g/mol
LogP5.25
Rot. Bonds17

About 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol

2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol (PubChem CID 142741314) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
PubChem CID142741314
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCC1NCCN1CCO
InChIInChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,22-23,25H,2-8,11-21H2,1H3/b10-9-
InChIKeyZMZPQVKGKIHSIE-KTKRTIGZSA-N
XLogP5.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.25
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-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
1-butyl-2-hexyl-1,3-diazinane
CID 163782424
1,2-didodecyl-1,3-diazinane
CID 70559928
2-(2-heptadecylimidazolidin-1-yl)acetic acid
CID 70577882
2-[2-[(E)-dodec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327581
2-[2-[(E)-tridec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327618
2-[2-[(E)-tridec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327616
2-[2-[(E)-tridec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327617
1,2-dipentyl-1,3-diazinane
CID 67611094
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
The IUPAC name of 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol (CID 142741314) is 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol is CCCCCCCC/C=C\CCCCCCCC1NCCN1CCO.
What is the InChIKey of 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
The InChIKey is ZMZPQVKGKIHSIE-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,22-23,25H,2-8,11-21H2,1H3/b10-9-.
What are the key properties of 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol?
2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol has a molecular weight of 352.61 g/mol, XLogP of 5.25, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol is sourced from PubChem (CID 142741314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).