N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine

C23H45N3 — CID 70569475

IUPACN-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1NCC
InChIInChI=1S/C23H45N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-26(23)25-4-2/h11-12,25H,3-10,13-22H2,1-2H3/b12-11-
InChIKeyLAAWHQDBRFXAOF-QXMHVHEDSA-N
MW363.63 g/mol
LogP6.65
Rot. Bonds18

About N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine

N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine (PubChem CID 70569475) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
PubChem CID70569475
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC NameN-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1NCC
InChIInChI=1S/C23H45N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-26(23)25-4-2/h11-12,25H,3-10,13-22H2,1-2H3/b12-11-
InChIKeyLAAWHQDBRFXAOF-QXMHVHEDSA-N
XLogP6.65
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.65
H-Bond Donors ≤ 51
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 N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
The IUPAC name of N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine (CID 70569475) is N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
The canonical SMILES for N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine is CCCCCCCC/C=C\CCCCCCCCC1=NCCN1NCC.
What is the InChIKey of N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
The InChIKey is LAAWHQDBRFXAOF-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H45N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24-21-22-26(23)25-4-2/h11-12,25H,3-10,13-22H2,1-2H3/b12-11-.
What are the key properties of N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine has a molecular weight of 363.63 g/mol, XLogP of 6.65, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 70569475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).