N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine

C12H18N2O — CID 144750049

IUPACN-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine
SMILESC=C(CCN(C)c1ccccn1)OCC
InChIInChI=1S/C12H18N2O/c1-4-15-11(2)8-10-14(3)12-7-5-6-9-13-12/h5-7,9H,2,4,8,10H2,1,3H3
InChIKeyIGVKQTBDWPGNLD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.46
Rot. Bonds6

About N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine

N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine (PubChem CID 144750049) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine
PubChem CID144750049
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine
SMILESC=C(CCN(C)c1ccccn1)OCC
InChIInChI=1S/C12H18N2O/c1-4-15-11(2)8-10-14(3)12-7-5-6-9-13-12/h5-7,9H,2,4,8,10H2,1,3H3
InChIKeyIGVKQTBDWPGNLD-UHFFFAOYSA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine?
The IUPAC name of N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine (CID 144750049) is N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine?
The canonical SMILES for N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine is C=C(CCN(C)c1ccccn1)OCC.
What is the InChIKey of N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine?
The InChIKey is IGVKQTBDWPGNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-15-11(2)8-10-14(3)12-7-5-6-9-13-12/h5-7,9H,2,4,8,10H2,1,3H3.
What are the key properties of N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine?
N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxybut-3-enyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 144750049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).