[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine

C15H25N3 — CID 81247679

IUPAC[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
SMILESCCC1(CC)CCN(c2cc(C)ncc2CN)C1
InChIInChI=1S/C15H25N3/c1-4-15(5-2)6-7-18(11-15)14-8-12(3)17-10-13(14)9-16/h8,10H,4-7,9,11,16H2,1-3H3
InChIKeyIJSLSWDBMQWJIG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.87
Rot. Bonds4

About [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine

[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine (PubChem CID 81247679) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
PubChem CID81247679
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine
SMILESCCC1(CC)CCN(c2cc(C)ncc2CN)C1
InChIInChI=1S/C15H25N3/c1-4-15(5-2)6-7-18(11-15)14-8-12(3)17-10-13(14)9-16/h8,10H,4-7,9,11,16H2,1-3H3
InChIKeyIJSLSWDBMQWJIG-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine (CID 81247679) is [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine is CCC1(CC)CCN(c2cc(C)ncc2CN)C1.
What is the InChIKey of [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is IJSLSWDBMQWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-15(5-2)6-7-18(11-15)14-8-12(3)17-10-13(14)9-16/h8,10H,4-7,9,11,16H2,1-3H3.
What are the key properties of [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine?
[4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-diethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81247679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).