1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine

C15H25N3 — CID 106905663

IUPAC1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCCCCCC2)n1
InChIInChI=1S/C15H25N3/c1-16-12-14-8-7-9-15(17-14)13-18-10-5-3-2-4-6-11-18/h7-9,16H,2-6,10-13H2,1H3
InChIKeyNPGRWGMMILTQNF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.57
Rot. Bonds4

About 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine

1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine (PubChem CID 106905663) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
PubChem CID106905663
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCCCCCC2)n1
InChIInChI=1S/C15H25N3/c1-16-12-14-8-7-9-15(17-14)13-18-10-5-3-2-4-6-11-18/h7-9,16H,2-6,10-13H2,1H3
InChIKeyNPGRWGMMILTQNF-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-Ethyl-2-picoline
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N-methyl-1-(pyridin-2-yl)methanamine
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Imisopasem Manganese
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CID 566605
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2-(Dimethylaminomethyl)-pyridine
CID 252482
2-(Diethylaminomethyl)-pyridine
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CID 2784964

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine (CID 106905663) is 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(CN2CCCCCCC2)n1.
What is the InChIKey of 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is NPGRWGMMILTQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-16-12-14-8-7-9-15(17-14)13-18-10-5-3-2-4-6-11-18/h7-9,16H,2-6,10-13H2,1H3.
What are the key properties of 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106905663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).