2-(2-methyloxolan-3-ylidene)ethanamine

C7H13NO — CID 82718051

IUPAC2-(2-methyloxolan-3-ylidene)ethanamine
SMILESCC1OCCC1=CCN
InChIInChI=1S/C7H13NO/c1-6-7(2-4-8)3-5-9-6/h2,6H,3-5,8H2,1H3
InChIKeyDCRONZRGUJUNHU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds1

About 2-(2-methyloxolan-3-ylidene)ethanamine

2-(2-methyloxolan-3-ylidene)ethanamine (PubChem CID 82718051) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-ylidene)ethanamine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-ylidene)ethanamine
PubChem CID82718051
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(2-methyloxolan-3-ylidene)ethanamine
SMILESCC1OCCC1=CCN
InChIInChI=1S/C7H13NO/c1-6-7(2-4-8)3-5-9-6/h2,6H,3-5,8H2,1H3
InChIKeyDCRONZRGUJUNHU-UHFFFAOYSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
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-(2-methyloxolan-3-ylidene)ethanamine?
The IUPAC name of 2-(2-methyloxolan-3-ylidene)ethanamine (CID 82718051) is 2-(2-methyloxolan-3-ylidene)ethanamine.
What is the SMILES notation for 2-(2-methyloxolan-3-ylidene)ethanamine?
The canonical SMILES for 2-(2-methyloxolan-3-ylidene)ethanamine is CC1OCCC1=CCN.
What is the InChIKey of 2-(2-methyloxolan-3-ylidene)ethanamine?
The InChIKey is DCRONZRGUJUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-7(2-4-8)3-5-9-6/h2,6H,3-5,8H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-ylidene)ethanamine?
2-(2-methyloxolan-3-ylidene)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-ylidene)ethanamine is sourced from PubChem (CID 82718051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).