3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine

C12H18N2O — CID 106191598

IUPAC3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
SMILESCCOc1cccnc1NCC=C(C)C
InChIInChI=1S/C12H18N2O/c1-4-15-11-6-5-8-13-12(11)14-9-7-10(2)3/h5-8H,4,9H2,1-3H3,(H,13,14)
InChIKeyQQBXOMJZYDAKJU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds5

About 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine

3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine (PubChem CID 106191598) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
PubChem CID106191598
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
SMILESCCOc1cccnc1NCC=C(C)C
InChIInChI=1S/C12H18N2O/c1-4-15-11-6-5-8-13-12(11)14-9-7-10(2)3/h5-8H,4,9H2,1-3H3,(H,13,14)
InChIKeyQQBXOMJZYDAKJU-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
CID 106182042
3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191508
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine
CID 103096940
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
3-[(3-ethoxy-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170981
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
N-[1-(2-ethoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 113350530
3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430205
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine
CID 106252954

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine?
The IUPAC name of 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine (CID 106191598) is 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine.
What is the SMILES notation for 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine?
The canonical SMILES for 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine is CCOc1cccnc1NCC=C(C)C.
What is the InChIKey of 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine?
The InChIKey is QQBXOMJZYDAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-15-11-6-5-8-13-12(11)14-9-7-10(2)3/h5-8H,4,9H2,1-3H3,(H,13,14).
What are the key properties of 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine?
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine is sourced from PubChem (CID 106191598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).