1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine

C12H22N4O — CID 106552450

IUPAC1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
SMILESCCOCCCn1ccnc1N1CCC(N)C1
InChIInChI=1S/C12H22N4O/c1-2-17-9-3-6-15-8-5-14-12(15)16-7-4-11(13)10-16/h5,8,11H,2-4,6-7,9-10,13H2,1H3
InChIKeyRCWISTUEWXQWQJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.85
Rot. Bonds6

About 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine

1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine (PubChem CID 106552450) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
PubChem CID106552450
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
SMILESCCOCCCn1ccnc1N1CCC(N)C1
InChIInChI=1S/C12H22N4O/c1-2-17-9-3-6-15-8-5-14-12(15)16-7-4-11(13)10-16/h5,8,11H,2-4,6-7,9-10,13H2,1H3
InChIKeyRCWISTUEWXQWQJ-UHFFFAOYSA-N
XLogP0.85
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine 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

1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine
CID 106552533
3-ethyl-1-[1-(3-methoxypropyl)imidazol-2-yl]piperidin-4-amine
CID 106553250
5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106553000
(4aS,7aS)-6-[1-(3-ethoxypropyl)imidazol-2-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553811
[1-(1-propylimidazol-2-yl)pyrrolidin-3-yl]methanamine
CID 63975836
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
N-methyl-1-(1-propylimidazol-2-yl)pyrrolidin-3-amine
CID 106553421
1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552827
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
CID 106553921

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine (CID 106552450) is 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine is CCOCCCn1ccnc1N1CCC(N)C1.
What is the InChIKey of 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine?
The InChIKey is RCWISTUEWXQWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-17-9-3-6-15-8-5-14-12(15)16-7-4-11(13)10-16/h5,8,11H,2-4,6-7,9-10,13H2,1H3.
What are the key properties of 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine?
1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 106552450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).