6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine

C16H25N3 — CID 82752594

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCC3CCCCC32)n1
InChIInChI=1S/C16H25N3/c1-2-11-17-15-8-5-9-16(18-15)19-12-10-13-6-3-4-7-14(13)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,17,18)
InChIKeyLDPUZTIPTOJHGQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.67
Rot. Bonds4

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine (PubChem CID 82752594) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
PubChem CID82752594
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCC3CCCCC32)n1
InChIInChI=1S/C16H25N3/c1-2-11-17-15-8-5-9-16(18-15)19-12-10-13-6-3-4-7-14(13)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,17,18)
InChIKeyLDPUZTIPTOJHGQ-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.67
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-yl)-N-propylpyridin-2-amine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine (CID 82752594) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine is CCCNc1cccc(N2CCC3CCCCC32)n1.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine?
The InChIKey is LDPUZTIPTOJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-11-17-15-8-5-9-16(18-15)19-12-10-13-6-3-4-7-14(13)19/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H,17,18).
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.67, 4 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)-N-propylpyridin-2-amine is sourced from PubChem (CID 82752594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).