2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride

C8H18ClNO — CID 173116248

IUPAC2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride
SMILESCC(C)=CC(C)OCCN.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2)6-8(3)10-5-4-9;/h6,8H,4-5,9H2,1-3H3;1H
InChIKeyJWPUCYFPHOBSSS-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride

2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride (PubChem CID 173116248) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride
PubChem CID173116248
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride
SMILESCC(C)=CC(C)OCCN.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2)6-8(3)10-5-4-9;/h6,8H,4-5,9H2,1-3H3;1H
InChIKeyJWPUCYFPHOBSSS-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride?
The IUPAC name of 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride (CID 173116248) is 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride is CC(C)=CC(C)OCCN.Cl.
What is the InChIKey of 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride?
The InChIKey is JWPUCYFPHOBSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7(2)6-8(3)10-5-4-9;/h6,8H,4-5,9H2,1-3H3;1H.
What are the key properties of 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride?
2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-en-2-yloxy)ethanamine;hydrochloride is sourced from PubChem (CID 173116248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).