2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine

C15H25N3 — CID 113457077

IUPAC2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCCCCCC2)cn1
InChIInChI=1S/C15H25N3/c1-13-7-8-14(12-17-13)15(11-16)18-9-5-3-2-4-6-10-18/h7-8,12,15H,2-6,9-11,16H2,1H3
InChIKeyKZBPHFILKRDSCV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.66
Rot. Bonds3

About 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine

2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 113457077) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
PubChem CID113457077
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(CN)N2CCCCCCC2)cn1
InChIInChI=1S/C15H25N3/c1-13-7-8-14(12-17-13)15(11-16)18-9-5-3-2-4-6-10-18/h7-8,12,15H,2-6,9-11,16H2,1H3
InChIKeyKZBPHFILKRDSCV-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822203
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
2-[4-(methoxymethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822316
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 107454005
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822275
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822217
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-piperidin-1-yl-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
CID 102548964
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine (CID 113457077) is 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(CN)N2CCCCCCC2)cn1.
What is the InChIKey of 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is KZBPHFILKRDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-7-8-14(12-17-13)15(11-16)18-9-5-3-2-4-6-10-18/h7-8,12,15H,2-6,9-11,16H2,1H3.
What are the key properties of 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine?
2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 113457077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).