N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine

C12H18N2O — CID 114471243

IUPACN-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine
SMILESC=C(C)CCOc1cncc(NCC)c1
InChIInChI=1S/C12H18N2O/c1-4-14-11-7-12(9-13-8-11)15-6-5-10(2)3/h7-9,14H,2,4-6H2,1,3H3
InChIKeyJTJTUOSWWBENFE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine

N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine (PubChem CID 114471243) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine
PubChem CID114471243
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine
SMILESC=C(C)CCOc1cncc(NCC)c1
InChIInChI=1S/C12H18N2O/c1-4-14-11-7-12(9-13-8-11)15-6-5-10(2)3/h7-9,14H,2,4-6H2,1,3H3
InChIKeyJTJTUOSWWBENFE-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-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-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine?
The IUPAC name of N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine (CID 114471243) is N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine.
What is the SMILES notation for N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine?
The canonical SMILES for N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine is C=C(C)CCOc1cncc(NCC)c1.
What is the InChIKey of N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine?
The InChIKey is JTJTUOSWWBENFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-14-11-7-12(9-13-8-11)15-6-5-10(2)3/h7-9,14H,2,4-6H2,1,3H3.
What are the key properties of N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine?
N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methylbut-3-enoxy)pyridin-3-amine is sourced from PubChem (CID 114471243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).