2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride

C8H16ClNO — CID 136576230

IUPAC2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C(CN)C1CCOCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7(6-9)8-2-4-10-5-3-8;/h8H,1-6,9H2;1H
InChIKeyDNWGMEZFEMCOQE-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.35
Rot. Bonds2

About 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride

2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride (PubChem CID 136576230) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride
PubChem CID136576230
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C(CN)C1CCOCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7(6-9)8-2-4-10-5-3-8;/h8H,1-6,9H2;1H
InChIKeyDNWGMEZFEMCOQE-UHFFFAOYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.35
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-(oxan-4-yl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride (CID 136576230) is 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride is C=C(CN)C1CCOCC1.Cl.
What is the InChIKey of 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride?
The InChIKey is DNWGMEZFEMCOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-7(6-9)8-2-4-10-5-3-8;/h8H,1-6,9H2;1H.
What are the key properties of 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride?
2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 136576230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).