(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

C14H21N3 — CID 25102548

IUPAC(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21N3/c1-4-17-13(11-15-14(17)16(2)3)10-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-/m0/s1
InChIKeyJLLHYMKNDMZLCL-ZDUSSCGKSA-N
MW231.34 g/mol
LogP1.85
Rot. Bonds3

About (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102548) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102548
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21N3/c1-4-17-13(11-15-14(17)16(2)3)10-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-/m0/s1
InChIKeyJLLHYMKNDMZLCL-ZDUSSCGKSA-N
XLogP1.85
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imidazoline, 2-benzyl-1-methyl-
CID 47570
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135387194
Formamidine, N,N-dimethyl-N'-phenethyl-
CID 27487
6,6-Dimethyl-1-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24196215
(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102539
(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102542
(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102546
[(5S)-5-isobutyl-1-(4-phenylbutyl)-2-imidazolin-2-yl]-dimethyl-amine
CID 25102676

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine (CID 25102548) is (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is CCN1C(N(C)C)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is JLLHYMKNDMZLCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-17-13(11-15-14(17)16(2)3)10-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).