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

C15H23N3 — CID 82753407

IUPAC[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(CN2CCC3CCCCC32)nc1
InChIInChI=1S/C15H23N3/c16-9-12-5-6-14(17-10-12)11-18-8-7-13-3-1-2-4-15(13)18/h5-6,10,13,15H,1-4,7-9,11,16H2
InChIKeyXOYXZQKHVVBAJE-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.30
Rot. Bonds3

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

[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine (PubChem CID 82753407) 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-ylmethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine
PubChem CID82753407
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(CN2CCC3CCCCC32)nc1
InChIInChI=1S/C15H23N3/c16-9-12-5-6-14(17-10-12)11-18-8-7-13-3-1-2-4-15(13)18/h5-6,10,13,15H,1-4,7-9,11,16H2
InChIKeyXOYXZQKHVVBAJE-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine (CID 82753407) is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine is NCc1ccc(CN2CCC3CCCCC32)nc1.
What is the InChIKey of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine?
The InChIKey is XOYXZQKHVVBAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-9-12-5-6-14(17-10-12)11-18-8-7-13-3-1-2-4-15(13)18/h5-6,10,13,15H,1-4,7-9,11,16H2.
What are the key properties of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine?
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-pyridinyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.30, 3 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)-3-pyridinyl]methanamine is sourced from PubChem (CID 82753407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).