(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine

C23H45N3 — CID 71245089

IUPAC(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCC(CNCC)C1=NCCN1
InChIInChI=1S/C23H45N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-24-4-2)23-25-19-20-26-23/h11-12,22,24H,3-10,13-21H2,1-2H3,(H,25,26)/b12-11-
InChIKeyZMVCAWZTSKPHFI-QXMHVHEDSA-N
MW363.63 g/mol
LogP5.86
Rot. Bonds18

About (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine

(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine (PubChem CID 71245089) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine
PubChem CID71245089
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCC(CNCC)C1=NCCN1
InChIInChI=1S/C23H45N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-24-4-2)23-25-19-20-26-23/h11-12,22,24H,3-10,13-21H2,1-2H3,(H,25,26)/b12-11-
InChIKeyZMVCAWZTSKPHFI-QXMHVHEDSA-N
XLogP5.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 55.86
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 (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine?
The IUPAC name of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine (CID 71245089) is (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCC(CNCC)C1=NCCN1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine?
The InChIKey is ZMVCAWZTSKPHFI-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H45N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-24-4-2)23-25-19-20-26-23/h11-12,22,24H,3-10,13-21H2,1-2H3,(H,25,26)/b12-11-.
What are the key properties of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine?
(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine has a molecular weight of 363.63 g/mol, XLogP of 5.86, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N-ethyloctadec-9-en-1-amine is sourced from PubChem (CID 71245089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).