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

C12H18N2O — CID 103096940

IUPAC6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine
SMILESCCOc1ccc(NCC=C(C)C)cn1
InChIInChI=1S/C12H18N2O/c1-4-15-12-6-5-11(9-14-12)13-8-7-10(2)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyUDYRDJNZURQYIM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds5

About 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine

6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine (PubChem CID 103096940) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine
PubChem CID103096940
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine
SMILESCCOc1ccc(NCC=C(C)C)cn1
InChIInChI=1S/C12H18N2O/c1-4-15-12-6-5-11(9-14-12)13-8-7-10(2)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyUDYRDJNZURQYIM-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

3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
CID 103230745
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine
CID 114281851
N-(6-ethoxy-3-pyridinyl)-5-iodopyrimidin-2-amine
CID 116649023
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
6-ethoxy-N-(1-ethoxypropan-2-yl)pyridin-3-amine
CID 115922413
(2R)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775745
(2S)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775742
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-2-methylheptanamide
CID 133205772
2-[5-[[(6-ethoxy-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82885833
3,4-dimethoxy-N-(3-methylbut-2-enyl)aniline
CID 103604390
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
CID 82852458

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine?
The IUPAC name of 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine (CID 103096940) is 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine.
What is the SMILES notation for 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine?
The canonical SMILES for 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine is CCOc1ccc(NCC=C(C)C)cn1.
What is the InChIKey of 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine?
The InChIKey is UDYRDJNZURQYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-15-12-6-5-11(9-14-12)13-8-7-10(2)3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine?
6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-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 6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine is sourced from PubChem (CID 103096940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).