3-(2-imidazol-1-ylethoxy)propan-1-amine

C8H15N3O — CID 106938071

IUPAC3-(2-imidazol-1-ylethoxy)propan-1-amine
SMILESNCCCOCCn1ccnc1
InChIInChI=1S/C8H15N3O/c9-2-1-6-12-7-5-11-4-3-10-8-11/h3-4,8H,1-2,5-7,9H2
InChIKeyREDPWHMBMWFVOW-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.25
Rot. Bonds6

About 3-(2-imidazol-1-ylethoxy)propan-1-amine

3-(2-imidazol-1-ylethoxy)propan-1-amine (PubChem CID 106938071) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-imidazol-1-ylethoxy)propan-1-amine
PubChem CID106938071
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(2-imidazol-1-ylethoxy)propan-1-amine
SMILESNCCCOCCn1ccnc1
InChIInChI=1S/C8H15N3O/c9-2-1-6-12-7-5-11-4-3-10-8-11/h3-4,8H,1-2,5-7,9H2
InChIKeyREDPWHMBMWFVOW-UHFFFAOYSA-N
XLogP0.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-[2-(2-propoxyethoxy)ethyl]imidazole
CID 54030122
[2-(2-imidazol-1-ylethoxymethyl)cyclopentyl]methanamine
CID 106938475
2-(2-imidazol-1-ylethoxy)-N-methylethanamine
CID 106937829
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409
1-(2-methoxyethyl)imidazole
CID 14366840
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylethoxy)propan-1-amine?
The IUPAC name of 3-(2-imidazol-1-ylethoxy)propan-1-amine (CID 106938071) is 3-(2-imidazol-1-ylethoxy)propan-1-amine.
What is the SMILES notation for 3-(2-imidazol-1-ylethoxy)propan-1-amine?
The canonical SMILES for 3-(2-imidazol-1-ylethoxy)propan-1-amine is NCCCOCCn1ccnc1.
What is the InChIKey of 3-(2-imidazol-1-ylethoxy)propan-1-amine?
The InChIKey is REDPWHMBMWFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-2-1-6-12-7-5-11-4-3-10-8-11/h3-4,8H,1-2,5-7,9H2.
What are the key properties of 3-(2-imidazol-1-ylethoxy)propan-1-amine?
3-(2-imidazol-1-ylethoxy)propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylethoxy)propan-1-amine is sourced from PubChem (CID 106938071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).