(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane

C16H27N3O — CID 163390474

IUPAC(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane
SMILESCCOc1cc(CN)ccn1.CN1CC2CCC(C2)C1
InChIInChI=1S/C8H12N2O.C8H15N/c1-2-11-8-5-7(6-9)3-4-10-8;1-9-5-7-2-3-8(4-7)6-9/h3-5H,2,6,9H2,1H3;7-8H,2-6H2,1H3
InChIKeyNJBAVGYLTFENKP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.29
Rot. Bonds3

About (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane

(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane (PubChem CID 163390474) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane
PubChem CID163390474
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane
SMILESCCOc1cc(CN)ccn1.CN1CC2CCC(C2)C1
InChIInChI=1S/C8H12N2O.C8H15N/c1-2-11-8-5-7(6-9)3-4-10-8;1-9-5-7-2-3-8(4-7)6-9/h3-5H,2,6,9H2,1H3;7-8H,2-6H2,1H3
InChIKeyNJBAVGYLTFENKP-UHFFFAOYSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
CID 66689440
[2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 124673126
[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
CID 159598247
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 43126965
[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
2-(2-ethoxy-4-pyridinyl)-N-methylethanamine
CID 83875505
[2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 16795671
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
2-ethoxy-4-[[(3S)-pyrrolidin-3-yl]sulfanylmethyl]pyridine
CID 146287980
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane (CID 163390474) is (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane is CCOc1cc(CN)ccn1.CN1CC2CCC(C2)C1.
What is the InChIKey of (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane?
The InChIKey is NJBAVGYLTFENKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C8H15N/c1-2-11-8-5-7(6-9)3-4-10-8;1-9-5-7-2-3-8(4-7)6-9/h3-5H,2,6,9H2,1H3;7-8H,2-6H2,1H3.
What are the key properties of (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane?
(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane has a molecular weight of 277.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 163390474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).