(E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine

C8H15NO — CID 82838395

IUPAC(E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESC/C(=C\C1CCCO1)CN
InChIInChI=1S/C8H15NO/c1-7(6-9)5-8-3-2-4-10-8/h5,8H,2-4,6,9H2,1H3/b7-5+
InChIKeyPSZKPALFKBPZIM-FNORWQNLSA-N
MW141.21 g/mol
LogP1.07
Rot. Bonds2

About (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine

(E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838395) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82838395
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESC/C(=C\C1CCCO1)CN
InChIInChI=1S/C8H15NO/c1-7(6-9)5-8-3-2-4-10-8/h5,8H,2-4,6,9H2,1H3/b7-5+
InChIKeyPSZKPALFKBPZIM-FNORWQNLSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82838395) is (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine is C/C(=C\C1CCCO1)CN.
What is the InChIKey of (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is PSZKPALFKBPZIM-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(6-9)5-8-3-2-4-10-8/h5,8H,2-4,6,9H2,1H3/b7-5+.
What are the key properties of (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).