N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline

C16H25N3 — CID 19889801

IUPACN-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline
SMILESCCN1CCN=C1C(C)N(C)c1cccc(C)c1C
InChIInChI=1S/C16H25N3/c1-6-19-11-10-17-16(19)14(4)18(5)15-9-7-8-12(2)13(15)3/h7-9,14H,6,10-11H2,1-5H3
InChIKeySFBGEWKUKUTRMI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.86
Rot. Bonds4

About N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline

N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline (PubChem CID 19889801) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline.

Molecular Properties

Compound NameN-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline
PubChem CID19889801
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline
SMILESCCN1CCN=C1C(C)N(C)c1cccc(C)c1C
InChIInChI=1S/C16H25N3/c1-6-19-11-10-17-16(19)14(4)18(5)15-9-7-8-12(2)13(15)3/h7-9,14H,6,10-11H2,1-5H3
InChIKeySFBGEWKUKUTRMI-UHFFFAOYSA-N
XLogP2.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline?
The IUPAC name of N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline (CID 19889801) is N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline.
What is the SMILES notation for N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline?
The canonical SMILES for N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline is CCN1CCN=C1C(C)N(C)c1cccc(C)c1C.
What is the InChIKey of N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline?
The InChIKey is SFBGEWKUKUTRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-19-11-10-17-16(19)14(4)18(5)15-9-7-8-12(2)13(15)3/h7-9,14H,6,10-11H2,1-5H3.
What are the key properties of N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline?
N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline has a molecular weight of 259.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethyl]-N,2,3-trimethylaniline is sourced from PubChem (CID 19889801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).