2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

C12H23NO2 — CID 103074686

IUPAC2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-10(2)13-8-11(3)9-15-12-4-6-14-7-5-12/h10,12-13H,3-9H2,1-2H3
InChIKeySHWRDVHOGPFLSK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds6

About 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074686) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074686
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CCOCC1
InChIInChI=1S/C12H23NO2/c1-10(2)13-8-11(3)9-15-12-4-6-14-7-5-12/h10,12-13H,3-9H2,1-2H3
InChIKeySHWRDVHOGPFLSK-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
N-tert-butyl-2-(cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074332
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
N-propan-2-yl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 103074436
N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074447
N-[2-(oxan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074448

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074686) is 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is SHWRDVHOGPFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)13-8-11(3)9-15-12-4-6-14-7-5-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).