2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine

C12H23NO — CID 106203369

IUPAC2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COCCC1CCC1
InChIInChI=1S/C12H23NO/c1-3-13-9-11(2)10-14-8-7-12-5-4-6-12/h12-13H,2-10H2,1H3
InChIKeyUJAKJCHWBZMCFR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds8

About 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine

2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine (PubChem CID 106203369) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine
PubChem CID106203369
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COCCC1CCC1
InChIInChI=1S/C12H23NO/c1-3-13-9-11(2)10-14-8-7-12-5-4-6-12/h12-13H,2-10H2,1H3
InChIKeyUJAKJCHWBZMCFR-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
2-(3-methylbutoxymethyl)-N-propylprop-2-en-1-amine
CID 103074386
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-ethyl-2-(heptoxymethyl)prop-2-en-1-amine
CID 103074509
2-(heptoxymethyl)-N-propylprop-2-en-1-amine
CID 103074512
N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
CID 103074533
2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074534
N-tert-butyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
CID 103074535
2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine
CID 103074537
N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074538
2-(4-methylpentoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074540

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine (CID 106203369) is 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine is C=C(CNCC)COCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine?
The InChIKey is UJAKJCHWBZMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13-9-11(2)10-14-8-7-12-5-4-6-12/h12-13H,2-10H2,1H3.
What are the key properties of 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine?
2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxymethyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 106203369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).