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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).