(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine

C9H17N3 — CID 130502437

IUPAC(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine
SMILESCCc1nc([C@H](C)N)cn1CC
InChIInChI=1S/C9H17N3/c1-4-9-11-8(7(3)10)6-12(9)5-2/h6-7H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyYPFHABOLRMUXKZ-ZETCQYMHSA-N
MW167.26 g/mol
LogP1.49
Rot. Bonds3

About (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine

(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine (PubChem CID 130502437) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine
PubChem CID130502437
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine
SMILESCCc1nc([C@H](C)N)cn1CC
InChIInChI=1S/C9H17N3/c1-4-9-11-8(7(3)10)6-12(9)5-2/h6-7H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKeyYPFHABOLRMUXKZ-ZETCQYMHSA-N
XLogP1.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(1,2-diethylimidazol-4-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

Related Compounds

(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine
CID 114266059
1,2,4-triethylimidazole
CID 24871662
2-[4-[(1S)-1-aminoethyl]-2-methylimidazol-1-yl]acetonitrile
CID 130502394
1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265923
1-ethyl-2-[(4-methoxyphenyl)methoxymethyl]-4-propan-2-ylimidazole
CID 140978463
3-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]propane-1,2-diol
CID 114266034
N-ethyl-2-[2-ethyl-4-[1-(ethylamino)ethyl]imidazol-1-yl]acetamide
CID 114266036
1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265918
(2-ethyl-4-methylimidazol-1-yl)methanamine
CID 141279094
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 114266029

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine?
The IUPAC name of (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine (CID 130502437) is (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine is CCc1nc([C@H](C)N)cn1CC.
What is the InChIKey of (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine?
The InChIKey is YPFHABOLRMUXKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9-11-8(7(3)10)6-12(9)5-2/h6-7H,4-5,10H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine?
(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,2-diethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 130502437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).