N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine

C13H25NO2 — CID 103074687

IUPACN-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(9-14-13(2,3)4)10-16-12-5-7-15-8-6-12/h12,14H,1,5-10H2,2-4H3
InChIKeyGGIYOVPZWVBLSB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds5

About N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074687) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
PubChem CID103074687
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(9-14-13(2,3)4)10-16-12-5-7-15-8-6-12/h12,14H,1,5-10H2,2-4H3
InChIKeyGGIYOVPZWVBLSB-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
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-(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-tert-butyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 103074437
N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074447
2-(oxan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074449
N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074450

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine (CID 103074687) is N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COC1CCOCC1.
What is the InChIKey of N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
The InChIKey is GGIYOVPZWVBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(9-14-13(2,3)4)10-16-12-5-7-15-8-6-12/h12,14H,1,5-10H2,2-4H3.
What are the key properties of N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).