N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine

C13H21N3 — CID 81246576

IUPACN-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(C)cc1N1CCC(C)C1
InChIInChI=1S/C13H21N3/c1-10-4-5-16(9-10)13-6-11(2)15-8-12(13)7-14-3/h6,8,10,14H,4-5,7,9H2,1-3H3
InChIKeyXXCWVFITZCSNHY-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine

N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81246576) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
PubChem CID81246576
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(C)cc1N1CCC(C)C1
InChIInChI=1S/C13H21N3/c1-10-4-5-16(9-10)13-6-11(2)15-8-12(13)7-14-3/h6,8,10,14H,4-5,7,9H2,1-3H3
InChIKeyXXCWVFITZCSNHY-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine (CID 81246576) is N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine is CNCc1cnc(C)cc1N1CCC(C)C1.
What is the InChIKey of N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is XXCWVFITZCSNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-4-5-16(9-10)13-6-11(2)15-8-12(13)7-14-3/h6,8,10,14H,4-5,7,9H2,1-3H3.
What are the key properties of N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81246576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).