2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine

C16H27N3O — CID 114937246

IUPAC2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
SMILESCCC1(CC)CCN(C(CN)c2ccc(OC)nc2)C1
InChIInChI=1S/C16H27N3O/c1-4-16(5-2)8-9-19(12-16)14(10-17)13-6-7-15(20-3)18-11-13/h6-7,11,14H,4-5,8-10,12,17H2,1-3H3
InChIKeyMAEURJBBYXYYIQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.60
Rot. Bonds6

About 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine

2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine (PubChem CID 114937246) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
PubChem CID114937246
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
SMILESCCC1(CC)CCN(C(CN)c2ccc(OC)nc2)C1
InChIInChI=1S/C16H27N3O/c1-4-16(5-2)8-9-19(12-16)14(10-17)13-6-7-15(20-3)18-11-13/h6-7,11,14H,4-5,8-10,12,17H2,1-3H3
InChIKeyMAEURJBBYXYYIQ-UHFFFAOYSA-N
XLogP2.60
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937069
2-(3-ethylpiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937023
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114937154
2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 114937035
2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
CID 114937183
2-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63157076
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202
(3R)-3-(6-methoxy-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306740
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
CID 114939064
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937000

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine (CID 114937246) is 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine is CCC1(CC)CCN(C(CN)c2ccc(OC)nc2)C1.
What is the InChIKey of 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine?
The InChIKey is MAEURJBBYXYYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-16(5-2)8-9-19(12-16)14(10-17)13-6-7-15(20-3)18-11-13/h6-7,11,14H,4-5,8-10,12,17H2,1-3H3.
What are the key properties of 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine?
2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethylpyrrolidin-1-yl)-2-(6-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 114937246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).