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

C16H25N3 — CID 82752844

IUPACN-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCC3CCCCC32)n1
InChIInChI=1S/C16H25N3/c1-2-17-12-14-7-5-9-16(18-14)19-11-10-13-6-3-4-8-15(13)19/h5,7,9,13,15,17H,2-4,6,8,10-12H2,1H3
InChIKeyZTWYPYXBAPWYQC-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.96
Rot. Bonds4

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

N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 82752844) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID82752844
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCC3CCCCC32)n1
InChIInChI=1S/C16H25N3/c1-2-17-12-14-7-5-9-16(18-14)19-11-10-13-6-3-4-8-15(13)19/h5,7,9,13,15,17H,2-4,6,8,10-12H2,1H3
InChIKeyZTWYPYXBAPWYQC-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

1-[6-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62294232
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106907036
N-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62284708
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 102728398
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 65324562
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62288156
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
CID 82752594
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65318914
N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79924667
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine
CID 62293603
N-[[6-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62282465
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79945337

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine (CID 82752844) is N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(N2CCC3CCCCC32)n1.
What is the InChIKey of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is ZTWYPYXBAPWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-17-12-14-7-5-9-16(18-14)19-11-10-13-6-3-4-8-15(13)19/h5,7,9,13,15,17H,2-4,6,8,10-12H2,1H3.
What are the key properties of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 82752844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).