2-(3-methylideneoxolan-2-yl)ethanamine

C7H13NO — CID 142619445

IUPAC2-(3-methylideneoxolan-2-yl)ethanamine
SMILESC=C1CCOC1CCN
InChIInChI=1S/C7H13NO/c1-6-3-5-9-7(6)2-4-8/h7H,1-5,8H2
InChIKeyOSVMMASOLMADRJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-methylideneoxolan-2-yl)ethanamine

2-(3-methylideneoxolan-2-yl)ethanamine (PubChem CID 142619445) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3-methylideneoxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylideneoxolan-2-yl)ethanamine
PubChem CID142619445
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3-methylideneoxolan-2-yl)ethanamine
SMILESC=C1CCOC1CCN
InChIInChI=1S/C7H13NO/c1-6-3-5-9-7(6)2-4-8/h7H,1-5,8H2
InChIKeyOSVMMASOLMADRJ-UHFFFAOYSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-[5-(Aminomethyl)-3-methylideneoxolan-2-yl]ethanamine
CID 129138329
(2S,3R)-2-ethyl-4-methylideneoxolan-3-amine
CID 143243317
N-methyl-2-(3-methylideneoxolan-2-yl)ethanamine
CID 163803154
[2-(Prop-1-en-2-yl)oxolan-3-yl]methanamine
CID 91654452
[(2R,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963910
[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963912
[(2R,3S)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963916
[(2S,3S)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963919
2-(Oxolan-2-yl)prop-2-en-1-amine
CID 117266327
3-(Oxolan-2-yl)but-3-en-1-amine
CID 117268485

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylideneoxolan-2-yl)ethanamine?
The IUPAC name of 2-(3-methylideneoxolan-2-yl)ethanamine (CID 142619445) is 2-(3-methylideneoxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methylideneoxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3-methylideneoxolan-2-yl)ethanamine is C=C1CCOC1CCN.
What is the InChIKey of 2-(3-methylideneoxolan-2-yl)ethanamine?
The InChIKey is OSVMMASOLMADRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-3-5-9-7(6)2-4-8/h7H,1-5,8H2.
What are the key properties of 2-(3-methylideneoxolan-2-yl)ethanamine?
2-(3-methylideneoxolan-2-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylideneoxolan-2-yl)ethanamine is sourced from PubChem (CID 142619445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).