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

C12H25NO2 — CID 103074515

IUPAC2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COCCOCCCC
InChIInChI=1S/C12H25NO2/c1-4-6-7-14-8-9-15-11-12(3)10-13-5-2/h13H,3-11H2,1-2H3
InChIKeyAPNFQNHJYWLSNM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.99
Rot. Bonds11

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

2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine (PubChem CID 103074515) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine
PubChem CID103074515
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COCCOCCCC
InChIInChI=1S/C12H25NO2/c1-4-6-7-14-8-9-15-11-12(3)10-13-5-2/h13H,3-11H2,1-2H3
InChIKeyAPNFQNHJYWLSNM-UHFFFAOYSA-N
XLogP1.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039
N-propyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075045
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
N-(3-ethoxypropyl)-2-methylprop-2-en-1-amine
CID 60689898
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
2-methyl-N-(3-propoxypropyl)prop-2-en-1-amine
CID 82943889
N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074315
2-(prop-2-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103074319
N-ethyl-2-(methoxymethyl)prop-2-en-1-amine
CID 103074356
2-(methoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074358

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine (CID 103074515) is 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine is C=C(CNCC)COCCOCCCC.
What is the InChIKey of 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine?
The InChIKey is APNFQNHJYWLSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-7-14-8-9-15-11-12(3)10-13-5-2/h13H,3-11H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine?
2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxymethyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103074515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).