N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine

C13H23NO2 — CID 94147350

IUPACN-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(C[C@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C13H23NO2/c1-2-7-14(10-12-5-3-8-15-12)11-13-6-4-9-16-13/h2,12-13H,1,3-11H2/t12-,13+
InChIKeyZNQBMHPMBIAPPG-BETUJISGSA-N
MW225.33 g/mol
LogP1.83
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine

N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 94147350) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine
PubChem CID94147350
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(C[C@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C13H23NO2/c1-2-7-14(10-12-5-3-8-15-12)11-13-6-4-9-16-13/h2,12-13H,1,3-11H2/t12-,13+
InChIKeyZNQBMHPMBIAPPG-BETUJISGSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine (CID 94147350) is N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine is C=CCN(C[C@H]1CCCO1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is ZNQBMHPMBIAPPG-BETUJISGSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-7-14(10-12-5-3-8-15-12)11-13-6-4-9-16-13/h2,12-13H,1,3-11H2/t12-,13+.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine?
N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 94147350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).