2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine

C10H18N2 — CID 42608982

IUPAC2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine
SMILESNCCC1=CNC2CCCCC12
InChIInChI=1S/C10H18N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7,9-10,12H,1-6,11H2
InChIKeyKXWARQXOSOCACM-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.38
Rot. Bonds2

About 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine

2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine (PubChem CID 42608982) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine
PubChem CID42608982
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine
SMILESNCCC1=CNC2CCCCC12
InChIInChI=1S/C10H18N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7,9-10,12H,1-6,11H2
InChIKeyKXWARQXOSOCACM-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine (CID 42608982) is 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine is NCCC1=CNC2CCCCC12.
What is the InChIKey of 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine?
The InChIKey is KXWARQXOSOCACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7,9-10,12H,1-6,11H2.
What are the key properties of 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine?
2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine has a molecular weight of 166.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 42608982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).