2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol

C10H19N3O2 — CID 114703406

IUPAC2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
SMILESCCOCCCn1cncc1C(N)CO
InChIInChI=1S/C10H19N3O2/c1-2-15-5-3-4-13-8-12-6-10(13)9(11)7-14/h6,8-9,14H,2-5,7,11H2,1H3
InChIKeyNQHYXRAWEDHWJR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.30
Rot. Bonds7

About 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol

2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol (PubChem CID 114703406) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
PubChem CID114703406
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
SMILESCCOCCCn1cncc1C(N)CO
InChIInChI=1S/C10H19N3O2/c1-2-15-5-3-4-13-8-12-6-10(13)9(11)7-14/h6,8-9,14H,2-5,7,11H2,1H3
InChIKeyNQHYXRAWEDHWJR-UHFFFAOYSA-N
XLogP0.30
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol 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

2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
(1R)-1-[3-[3-(cyclopropylmethoxy)propyl]imidazol-4-yl]propan-1-amine
CID 114098190
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
CID 104941453
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
CID 114707688
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
CID 104942754
2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
CID 114706186
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942516
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine
CID 104943977

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol (CID 114703406) is 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol is CCOCCCn1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol?
The InChIKey is NQHYXRAWEDHWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-15-5-3-4-13-8-12-6-10(13)9(11)7-14/h6,8-9,14H,2-5,7,11H2,1H3.
What are the key properties of 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114703406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).