3-(oxan-4-yl)prop-2-en-1-amine

C8H15NO — CID 70209950

IUPAC3-(oxan-4-yl)prop-2-en-1-amine
SMILESNCC=CC1CCOCC1
InChIInChI=1S/C8H15NO/c9-5-1-2-8-3-6-10-7-4-8/h1-2,8H,3-7,9H2
InChIKeyQHCVCPMUKGXERD-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.93
Rot. Bonds2

About 3-(oxan-4-yl)prop-2-en-1-amine

3-(oxan-4-yl)prop-2-en-1-amine (PubChem CID 70209950) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(oxan-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(oxan-4-yl)prop-2-en-1-amine
PubChem CID70209950
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(oxan-4-yl)prop-2-en-1-amine
SMILESNCC=CC1CCOCC1
InChIInChI=1S/C8H15NO/c9-5-1-2-8-3-6-10-7-4-8/h1-2,8H,3-7,9H2
InChIKeyQHCVCPMUKGXERD-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.93
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 3-(oxan-4-yl)prop-2-en-1-amine?
The IUPAC name of 3-(oxan-4-yl)prop-2-en-1-amine (CID 70209950) is 3-(oxan-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(oxan-4-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(oxan-4-yl)prop-2-en-1-amine is NCC=CC1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)prop-2-en-1-amine?
The InChIKey is QHCVCPMUKGXERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-5-1-2-8-3-6-10-7-4-8/h1-2,8H,3-7,9H2.
What are the key properties of 3-(oxan-4-yl)prop-2-en-1-amine?
3-(oxan-4-yl)prop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 70209950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).