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

C20H41N3 — CID 19825954

IUPACN,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCC1=NCCN1CCN(CC)CC
InChIInChI=1S/C20H41N3/c1-4-7-8-9-10-11-12-13-14-15-20-21-16-17-23(20)19-18-22(5-2)6-3/h4-19H2,1-3H3
InChIKeyYPHVKORVIPKRBT-UHFFFAOYSA-N
MW323.57 g/mol
LogP4.96
Rot. Bonds15

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

N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 19825954) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID19825954
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC NameN,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCCC1=NCCN1CCN(CC)CC
InChIInChI=1S/C20H41N3/c1-4-7-8-9-10-11-12-13-14-15-20-21-16-17-23(20)19-18-22(5-2)6-3/h4-19H2,1-3H3
InChIKeyYPHVKORVIPKRBT-UHFFFAOYSA-N
XLogP4.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 54.96
H-Bond Donors ≤ 50
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 N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine (CID 19825954) is N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine is CCCCCCCCCCCC1=NCCN1CCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is YPHVKORVIPKRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-4-7-8-9-10-11-12-13-14-15-20-21-16-17-23(20)19-18-22(5-2)6-3/h4-19H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine?
N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 323.57 g/mol, XLogP of 4.96, 15 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-undecyl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 19825954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).