2-(oxan-4-ylmethyl)prop-2-en-1-amine

C9H17NO — CID 117266299

IUPAC2-(oxan-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CC1CCOCC1
InChIInChI=1S/C9H17NO/c1-8(7-10)6-9-2-4-11-5-3-9/h9H,1-7,10H2
InChIKeyLDOAOHPNILYSMI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds3

About 2-(oxan-4-ylmethyl)prop-2-en-1-amine

2-(oxan-4-ylmethyl)prop-2-en-1-amine (PubChem CID 117266299) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)prop-2-en-1-amine
PubChem CID117266299
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(oxan-4-ylmethyl)prop-2-en-1-amine
SMILESC=C(CN)CC1CCOCC1
InChIInChI=1S/C9H17NO/c1-8(7-10)6-9-2-4-11-5-3-9/h9H,1-7,10H2
InChIKeyLDOAOHPNILYSMI-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
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-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-(oxan-4-ylmethyl)prop-2-en-1-amine (CID 117266299) is 2-(oxan-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(oxan-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(oxan-4-ylmethyl)prop-2-en-1-amine is C=C(CN)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is LDOAOHPNILYSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-10)6-9-2-4-11-5-3-9/h9H,1-7,10H2.
What are the key properties of 2-(oxan-4-ylmethyl)prop-2-en-1-amine?
2-(oxan-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 117266299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).