6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine

C14H20ClN3 — CID 82753252

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCC3CCCCC32)n1
InChIInChI=1S/C14H20ClN3/c15-11-5-6-14(16)17-12(11)9-18-8-7-10-3-1-2-4-13(10)18/h5-6,10,13H,1-4,7-9H2,(H2,16,17)
InChIKeyFCTKNBNBVJQXII-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.08
Rot. Bonds2

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine (PubChem CID 82753252) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine
PubChem CID82753252
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCC3CCCCC32)n1
InChIInChI=1S/C14H20ClN3/c15-11-5-6-14(16)17-12(11)9-18-8-7-10-3-1-2-4-13(10)18/h5-6,10,13H,1-4,7-9H2,(H2,16,17)
InChIKeyFCTKNBNBVJQXII-UHFFFAOYSA-N
XLogP3.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine with MolForge

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Related Compounds

5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892563
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 114087556
5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55127735
5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 63010267
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine
CID 82753407
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82753106
5-chloro-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62892343
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(6-amino-3-chloro-2-pyridinyl)methanone
CID 82752072
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine
CID 66371184
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol
CID 82983087
5-chloro-6-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892230

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine (CID 82753252) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine is Nc1ccc(Cl)c(CN2CCC3CCCCC32)n1.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine?
The InChIKey is FCTKNBNBVJQXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-11-5-6-14(16)17-12(11)9-18-8-7-10-3-1-2-4-13(10)18/h5-6,10,13H,1-4,7-9H2,(H2,16,17).
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine has a molecular weight of 265.79 g/mol, XLogP of 3.08, 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-ylmethyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 82753252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).