2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine

C12H25NO2 — CID 103074458

IUPAC2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCOC(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-13-9-12(4)10-14-7-8-15-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyYQJKTJCPWHAKFR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds10

About 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine

2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074458) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074458
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCOC(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-13-9-12(4)10-14-7-8-15-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyYQJKTJCPWHAKFR-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
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-propan-2-yloxyethoxymethyl)-N-propylprop-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-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074892
2-[1-(2-Methylprop-2-enoxy)ethyl]morpholine
CID 70372421
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
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-Methyl-6-(2-methylprop-2-enoxymethyl)morpholine
CID 102634037
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
2-(methoxymethyl)-N-propylprop-2-en-1-amine
CID 103074360
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine (CID 103074458) is 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COCCOC(C)C.
What is the InChIKey of 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is YQJKTJCPWHAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-13-9-12(4)10-14-7-8-15-11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine?
2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).