2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine

C10H19NO — CID 106203359

IUPAC2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COCCC1CC1
InChIInChI=1S/C10H19NO/c1-9(7-11-2)8-12-6-5-10-3-4-10/h10-11H,1,3-8H2,2H3
InChIKeyCBOQXXSJHAWGBZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds7

About 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine

2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine (PubChem CID 106203359) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine
PubChem CID106203359
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COCCC1CC1
InChIInChI=1S/C10H19NO/c1-9(7-11-2)8-12-6-5-10-3-4-10/h10-11H,1,3-8H2,2H3
InChIKeyCBOQXXSJHAWGBZ-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine (CID 106203359) is 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine is C=C(CNC)COCCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine?
The InChIKey is CBOQXXSJHAWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(7-11-2)8-12-6-5-10-3-4-10/h10-11H,1,3-8H2,2H3.
What are the key properties of 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine?
2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxymethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 106203359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).