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

C18H26N2 — CID 82752059

IUPAC[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(N2CCC3CCCCC32)Cc2ccccc2C1
InChIInChI=1S/C18H26N2/c19-13-18(11-15-6-1-2-7-16(15)12-18)20-10-9-14-5-3-4-8-17(14)20/h1-2,6-7,14,17H,3-5,8-13,19H2
InChIKeyVEJNGZSNJUCOOW-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.75
Rot. Bonds2

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

[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine (PubChem CID 82752059) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine
PubChem CID82752059
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(N2CCC3CCCCC32)Cc2ccccc2C1
InChIInChI=1S/C18H26N2/c19-13-18(11-15-6-1-2-7-16(15)12-18)20-10-9-14-5-3-4-8-17(14)20/h1-2,6-7,14,17H,3-5,8-13,19H2
InChIKeyVEJNGZSNJUCOOW-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine?
The IUPAC name of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine (CID 82752059) is [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine.
What is the SMILES notation for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine?
The canonical SMILES for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine is NCC1(N2CCC3CCCCC32)Cc2ccccc2C1.
What is the InChIKey of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine?
The InChIKey is VEJNGZSNJUCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c19-13-18(11-15-6-1-2-7-16(15)12-18)20-10-9-14-5-3-4-8-17(14)20/h1-2,6-7,14,17H,3-5,8-13,19H2.
What are the key properties of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine?
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine has a molecular weight of 270.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-dihydroinden-2-yl]methanamine is sourced from PubChem (CID 82752059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).