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

C12H24N2 — CID 82747633

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCC2CCCCC21
InChIInChI=1S/C12H24N2/c1-12(2,9-13)14-8-7-10-5-3-4-6-11(10)14/h10-11H,3-9,13H2,1-2H3
InChIKeyKYXUDTKUNAKCCU-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds2

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

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine (PubChem CID 82747633) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
PubChem CID82747633
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCC2CCCCC21
InChIInChI=1S/C12H24N2/c1-12(2,9-13)14-8-7-10-5-3-4-6-11(10)14/h10-11H,3-9,13H2,1-2H3
InChIKeyKYXUDTKUNAKCCU-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
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)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine (CID 82747633) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine is CC(C)(CN)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine?
The InChIKey is KYXUDTKUNAKCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,9-13)14-8-7-10-5-3-4-6-11(10)14/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 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)-2-methylpropan-1-amine is sourced from PubChem (CID 82747633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).