1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine

C22H43N3 — CID 141215519

IUPAC1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine
SMILESCCCCCCCCCCCCCCCC(=CN1C=NCC1)NCC
InChIInChI=1S/C22H43N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24-4-2)20-25-19-18-23-21-25/h20-21,24H,3-19H2,1-2H3
InChIKeySCNFOPZWAVWOEF-UHFFFAOYSA-N
MW349.61 g/mol
LogP6.26
Rot. Bonds17

About 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine

1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine (PubChem CID 141215519) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine
PubChem CID141215519
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine
SMILESCCCCCCCCCCCCCCCC(=CN1C=NCC1)NCC
InChIInChI=1S/C22H43N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24-4-2)20-25-19-18-23-21-25/h20-21,24H,3-19H2,1-2H3
InChIKeySCNFOPZWAVWOEF-UHFFFAOYSA-N
XLogP6.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.61
LogP ≤ 56.26
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine (CID 141215519) is 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine is CCCCCCCCCCCCCCCC(=CN1C=NCC1)NCC.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine?
The InChIKey is SCNFOPZWAVWOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24-4-2)20-25-19-18-23-21-25/h20-21,24H,3-19H2,1-2H3.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine?
1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine has a molecular weight of 349.61 g/mol, XLogP of 6.26, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-1-en-2-amine is sourced from PubChem (CID 141215519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).