2,2-diethoxy-2-pyridin-3-ylethanamine

C11H18N2O2 — CID 10987537

IUPAC2,2-diethoxy-2-pyridin-3-ylethanamine
SMILESCCOC(CN)(OCC)c1cccnc1
InChIInChI=1S/C11H18N2O2/c1-3-14-11(9-12,15-4-2)10-6-5-7-13-8-10/h5-8H,3-4,9,12H2,1-2H3
InChIKeyPIDGKJDUFGHEQD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.27
Rot. Bonds6

About 2,2-diethoxy-2-pyridin-3-ylethanamine

2,2-diethoxy-2-pyridin-3-ylethanamine (PubChem CID 10987537) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,2-diethoxy-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2,2-diethoxy-2-pyridin-3-ylethanamine
PubChem CID10987537
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2,2-diethoxy-2-pyridin-3-ylethanamine
SMILESCCOC(CN)(OCC)c1cccnc1
InChIInChI=1S/C11H18N2O2/c1-3-14-11(9-12,15-4-2)10-6-5-7-13-8-10/h5-8H,3-4,9,12H2,1-2H3
InChIKeyPIDGKJDUFGHEQD-UHFFFAOYSA-N
XLogP1.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
N-(2,2-diethoxy-2-pyridin-3-ylethyl)-2-oxo-3-phenylpropanamide
CID 19104969
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
2-acetyloxy-2-(1-ethoxy-1-pyridin-3-ylpropyl)propanedioic acid
CID 57361139
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate
CID 66098092
3-ethoxy-3-ethyl-1-pyridin-3-ylpentan-2-amine
CID 116759597
dichloro(pyridin-3-yl)methanamine
CID 139997720
3-ethoxy-2-methylsulfanyl-3-oxo-2-pyridin-3-ylpropanoic acid
CID 70347165
3-(5-methylnonan-5-yl)pyridine
CID 139543665

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-2-pyridin-3-ylethanamine?
The IUPAC name of 2,2-diethoxy-2-pyridin-3-ylethanamine (CID 10987537) is 2,2-diethoxy-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2,2-diethoxy-2-pyridin-3-ylethanamine?
The canonical SMILES for 2,2-diethoxy-2-pyridin-3-ylethanamine is CCOC(CN)(OCC)c1cccnc1.
What is the InChIKey of 2,2-diethoxy-2-pyridin-3-ylethanamine?
The InChIKey is PIDGKJDUFGHEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-14-11(9-12,15-4-2)10-6-5-7-13-8-10/h5-8H,3-4,9,12H2,1-2H3.
What are the key properties of 2,2-diethoxy-2-pyridin-3-ylethanamine?
2,2-diethoxy-2-pyridin-3-ylethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-2-pyridin-3-ylethanamine is sourced from PubChem (CID 10987537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).