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

C9H17NO — CID 79330279

IUPAC2-methyl-3-(oxan-4-yl)prop-2-en-1-amine
SMILESCC(=CC1CCOCC1)CN
InChIInChI=1S/C9H17NO/c1-8(7-10)6-9-2-4-11-5-3-9/h6,9H,2-5,7,10H2,1H3
InChIKeyQEMMKROGLXKDDA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds2

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

2-methyl-3-(oxan-4-yl)prop-2-en-1-amine (PubChem CID 79330279) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-yl)prop-2-en-1-amine
PubChem CID79330279
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-3-(oxan-4-yl)prop-2-en-1-amine
SMILESCC(=CC1CCOCC1)CN
InChIInChI=1S/C9H17NO/c1-8(7-10)6-9-2-4-11-5-3-9/h6,9H,2-5,7,10H2,1H3
InChIKeyQEMMKROGLXKDDA-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-methyl-3-(oxan-4-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine (CID 79330279) is 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine is CC(=CC1CCOCC1)CN.
What is the InChIKey of 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine?
The InChIKey is QEMMKROGLXKDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-10)6-9-2-4-11-5-3-9/h6,9H,2-5,7,10H2,1H3.
What are the key properties of 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine?
2-methyl-3-(oxan-4-yl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79330279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).