2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C12H23NO2 — CID 103074463

IUPAC2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-10(2)13-7-11(3)8-14-9-12-5-4-6-15-12/h10,12-13H,3-9H2,1-2H3
InChIKeyYVDVVQOIOPVJLA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

About 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074463) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074463
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC1CCCO1
InChIInChI=1S/C12H23NO2/c1-10(2)13-7-11(3)8-14-9-12-5-4-6-15-12/h10,12-13H,3-9H2,1-2H3
InChIKeyYVDVVQOIOPVJLA-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
2-(oxan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074449
N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
CID 103074456
N-ethyl-2-(oxolan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074461
N-[2-(oxolan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074462
N-tert-butyl-2-(oxolan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074464
2-(oxolan-2-ylmethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074465
N-methyl-2-(oxolan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074467
2-(2-butoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074517
2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074686
2-(1-methoxypropan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074748
N-ethyl-2-(oxolan-3-yloxymethyl)prop-2-en-1-amine
CID 103074793

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074463) is 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is YVDVVQOIOPVJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)13-7-11(3)8-14-9-12-5-4-6-15-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).