[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine

C15H23N3 — CID 82749684

IUPAC[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1N1CCC2CCCCC21
InChIInChI=1S/C15H23N3/c1-11-8-12(9-16)10-17-15(11)18-7-6-13-4-2-3-5-14(13)18/h8,10,13-14H,2-7,9,16H2,1H3
InChIKeyAIUKEFBBQOEEPW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.62
Rot. Bonds2

About [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine

[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine (PubChem CID 82749684) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
PubChem CID82749684
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1N1CCC2CCCCC21
InChIInChI=1S/C15H23N3/c1-11-8-12(9-16)10-17-15(11)18-7-6-13-4-2-3-5-14(13)18/h8,10,13-14H,2-7,9,16H2,1H3
InChIKeyAIUKEFBBQOEEPW-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine with MolForge

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Related Compounds

[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636209
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82752931
(4aR,8aR)-1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727193
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80636278
[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636143
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431
1-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80635655
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
2-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634126
[6-(4-ethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80630113
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
CID 55025133
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630672

Frequently Asked Questions

What is the IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine (CID 82749684) is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1N1CCC2CCCCC21.
What is the InChIKey of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine?
The InChIKey is AIUKEFBBQOEEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-8-12(9-16)10-17-15(11)18-7-6-13-4-2-3-5-14(13)18/h8,10,13-14H,2-7,9,16H2,1H3.
What are the key properties of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine?
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 82749684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).