N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine

C26H53N3 — CID 14178102

IUPACN,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CCN(CC)CC
InChIInChI=1S/C26H53N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27-22-23-29(26)25-24-28(5-2)6-3/h4-25H2,1-3H3
InChIKeyHPLUQSQVNOPQLI-UHFFFAOYSA-N
MW407.73 g/mol
LogP7.30
Rot. Bonds21

About N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine

N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 14178102) has the molecular formula C26H53N3 and a molecular weight of 407.73 g/mol. Its IUPAC name is N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID14178102
Molecular FormulaC26H53N3
Molecular Weight407.73 g/mol
Exact Mass407.42
IUPAC NameN,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CCN(CC)CC
InChIInChI=1S/C26H53N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27-22-23-29(26)25-24-28(5-2)6-3/h4-25H2,1-3H3
InChIKeyHPLUQSQVNOPQLI-UHFFFAOYSA-N
XLogP7.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine 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,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine (CID 14178102) is N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine is CCCCCCCCCCCCCCCCCC1=NCCN1CCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is HPLUQSQVNOPQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-27-22-23-29(26)25-24-28(5-2)6-3/h4-25H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine?
N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 407.73 g/mol, XLogP of 7.30, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 14178102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).