17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine

C22H43N3 — CID 141215518

IUPAC17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine
SMILESCCNCCCCCCCCCCCCCCCC=CN1C=NCC1
InChIInChI=1S/C22H43N3/c1-2-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-25-21-19-24-22-25/h17,20,22-23H,2-16,18-19,21H2,1H3
InChIKeyUQPZELUNQHPMQQ-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.91
Rot. Bonds18

About 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine

17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine (PubChem CID 141215518) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine.

Molecular Properties

Compound Name17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine
PubChem CID141215518
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine
SMILESCCNCCCCCCCCCCCCCCCC=CN1C=NCC1
InChIInChI=1S/C22H43N3/c1-2-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-25-21-19-24-22-25/h17,20,22-23H,2-16,18-19,21H2,1H3
InChIKeyUQPZELUNQHPMQQ-UHFFFAOYSA-N
XLogP5.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-icos-11-en-4-yl-4,5-dihydro-1H-imidazol-3-ium
CID 53729271
3-octadec-9-enyl-4,5-dihydro-1H-imidazol-3-ium
CID 53858374
3-octadec-9-en-2-yl-4,5-dihydro-1H-imidazol-3-ium
CID 54143369
Heptadecenyl imidazolinium chloride
CID 57353752
1-dec-9-enyl-1H-imidazol-1-ium iodide
CID 66808419
2-[1-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanamine
CID 68647339
(Z)-N-[2-(4,5-dihydroimidazol-1-yl)ethyl]octadec-9-en-1-amine
CID 69505023
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]octadec-9-en-1-amine
CID 69505027
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
(Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine
CID 70406845
1-[(Z)-nonadec-10-enyl]-4,5-dihydro-1H-imidazol-1-ium chloride
CID 70477541
1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride
CID 70477583

Frequently Asked Questions

What is the IUPAC name of 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine?
The IUPAC name of 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine (CID 141215518) is 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine.
What is the SMILES notation for 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine?
The canonical SMILES for 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine is CCNCCCCCCCCCCCCCCCC=CN1C=NCC1.
What is the InChIKey of 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine?
The InChIKey is UQPZELUNQHPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-2-23-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-25-21-19-24-22-25/h17,20,22-23H,2-16,18-19,21H2,1H3.
What are the key properties of 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine?
17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine has a molecular weight of 349.61 g/mol, XLogP of 5.91, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine is sourced from PubChem (CID 141215518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).