3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine

C16H30N6 — CID 161044403

IUPAC3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine
SMILESCCc1cn(CCCN)cn1.CCc1cncn1CCCN
InChIInChI=1S/2C8H15N3/c1-2-8-6-11(7-10-8)5-3-4-9;1-2-8-6-10-7-11(8)5-3-4-9/h2*6-7H,2-5,9H2,1H3
InChIKeyUBHOMPJYFJDAMN-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.59
Rot. Bonds8

About 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine

3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine (PubChem CID 161044403) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine
PubChem CID161044403
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine
SMILESCCc1cn(CCCN)cn1.CCc1cncn1CCCN
InChIInChI=1S/2C8H15N3/c1-2-8-6-11(7-10-8)5-3-4-9;1-2-8-6-10-7-11(8)5-3-4-9/h2*6-7H,2-5,9H2,1H3
InChIKeyUBHOMPJYFJDAMN-UHFFFAOYSA-N
XLogP1.59
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine (CID 161044403) is 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine is CCc1cn(CCCN)cn1.CCc1cncn1CCCN.
What is the InChIKey of 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine?
The InChIKey is UBHOMPJYFJDAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N3/c1-2-8-6-11(7-10-8)5-3-4-9;1-2-8-6-10-7-11(8)5-3-4-9/h2*6-7H,2-5,9H2,1H3.
What are the key properties of 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine?
3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine has a molecular weight of 306.46 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylimidazol-1-yl)propan-1-amine;3-(5-ethylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 161044403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).