3-(2-ethylimidazol-1-yl)propan-1-amine

C8H15N3 — CID 6484134

IUPAC3-(2-ethylimidazol-1-yl)propan-1-amine
SMILESCCc1nccn1CCCN
InChIInChI=1S/C8H15N3/c1-2-8-10-5-7-11(8)6-3-4-9/h5,7H,2-4,6,9H2,1H3
InChIKeyQWBQWONZMPWCIT-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.79
Rot. Bonds4

About 3-(2-ethylimidazol-1-yl)propan-1-amine

3-(2-ethylimidazol-1-yl)propan-1-amine (PubChem CID 6484134) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)propan-1-amine
PubChem CID6484134
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(2-ethylimidazol-1-yl)propan-1-amine
SMILESCCc1nccn1CCCN
InChIInChI=1S/C8H15N3/c1-2-8-10-5-7-11(8)6-3-4-9/h5,7H,2-4,6,9H2,1H3
InChIKeyQWBQWONZMPWCIT-UHFFFAOYSA-N
XLogP0.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
2-Ethylimidazole
CID 66130
1H-Imidazole-1-propanamine
CID 78736
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1,3,5-Triazine-2,4-diamine, 6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-
CID 162320
n-Propylimidazole
CID 118785
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1-Ethyl-3-methylimidazolium iodide
CID 11075478

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(2-ethylimidazol-1-yl)propan-1-amine (CID 6484134) is 3-(2-ethylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)propan-1-amine is CCc1nccn1CCCN.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)propan-1-amine?
The InChIKey is QWBQWONZMPWCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-8-10-5-7-11(8)6-3-4-9/h5,7H,2-4,6,9H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)propan-1-amine?
3-(2-ethylimidazol-1-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 6484134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).