3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C17H30N2 — CID 67335600

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC1CCC2C(CC3CNC4CCCCC34)CNC2C1
InChIInChI=1S/C17H30N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h12-19H,1-11H2
InChIKeyDMOCCXCCYWNPHH-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.93
Rot. Bonds2

About 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 67335600) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID67335600
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC1CCC2C(CC3CNC4CCCCC34)CNC2C1
InChIInChI=1S/C17H30N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h12-19H,1-11H2
InChIKeyDMOCCXCCYWNPHH-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 67335600) is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is C1CCC2C(CC3CNC4CCCCC34)CNC2C1.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is DMOCCXCCYWNPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h12-19H,1-11H2.
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 262.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 67335600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).