N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine

C22H43N3 — CID 141375192

IUPACN-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCC=CNCCN1C=NCC1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-20-25-21-19-24-22-25/h16-17,22-23H,2-15,18-21H2,1H3
InChIKeyKRYZMMZTESTSTM-UHFFFAOYSA-N
MW349.61 g/mol
LogP5.91
Rot. Bonds18

About N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine

N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine (PubChem CID 141375192) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine.

Molecular Properties

Compound NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine
PubChem CID141375192
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCC=CNCCN1C=NCC1
InChIInChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-20-25-21-19-24-22-25/h16-17,22-23H,2-15,18-21H2,1H3
InChIKeyKRYZMMZTESTSTM-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

1-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19357445
3-octadec-9-enyl-4,5-dihydro-1H-imidazol-3-ium
CID 53858374
1,1-Bis(heptadec-1-enyl)-4,5-dihydroimidazol-1-ium
CID 57213921
1-(Heptadec-1-en-1-yl)-4,5-dihydro-1H-imidazole
CID 57215798
1-heptadec-1-enyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 57353752
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine
CID 67763807
(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
2-(1-Heptadec-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
CID 69972249
3-heptadec-1-enyl-4,5-dihydro-1H-imidazol-3-ium bromide
CID 117698297
4,5-dihydro-1H-imidazole;non-1-ene
CID 122452842
2-(1-Heptadec-1-enyl-4,5-dihydroimidazol-2-yl)ethanamine
CID 140327180

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine?
The IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine (CID 141375192) is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine.
What is the SMILES notation for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine?
The canonical SMILES for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine is CCCCCCCCCCCCCCCC=CNCCN1C=NCC1.
What is the InChIKey of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine?
The InChIKey is KRYZMMZTESTSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-20-25-21-19-24-22-25/h16-17,22-23H,2-15,18-21H2,1H3.
What are the key properties of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine?
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-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 N-[2-(4,5-dihydroimidazol-1-yl)ethyl]heptadec-1-en-1-amine is sourced from PubChem (CID 141375192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).