1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine

C16H27N3 — CID 80634327

IUPAC1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
SMILESCCC1(CC)CCN(c2ccc(CC(C)N)cn2)C1
InChIInChI=1S/C16H27N3/c1-4-16(5-2)8-9-19(12-16)15-7-6-14(11-18-15)10-13(3)17/h6-7,11,13H,4-5,8-10,12,17H2,1-3H3
InChIKeyMYAWQKLJPBQERM-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.99
Rot. Bonds5

About 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine

1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine (PubChem CID 80634327) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
PubChem CID80634327
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
SMILESCCC1(CC)CCN(c2ccc(CC(C)N)cn2)C1
InChIInChI=1S/C16H27N3/c1-4-16(5-2)8-9-19(12-16)15-7-6-14(11-18-15)10-13(3)17/h6-7,11,13H,4-5,8-10,12,17H2,1-3H3
InChIKeyMYAWQKLJPBQERM-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80635207
1-[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634619
1-[6-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 113419282
1-[5-(2-aminopropyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 80634559
1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
CID 80635204
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
(1S)-1-[5-(3,3-diethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83131740
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine (CID 80634327) is 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine is CCC1(CC)CCN(c2ccc(CC(C)N)cn2)C1.
What is the InChIKey of 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine?
The InChIKey is MYAWQKLJPBQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-16(5-2)8-9-19(12-16)15-7-6-14(11-18-15)10-13(3)17/h6-7,11,13H,4-5,8-10,12,17H2,1-3H3.
What are the key properties of 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine?
1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80634327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).