N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine

C13H26N2 — CID 59848272

IUPACN-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1CNC2CCCCC12
InChIInChI=1S/C13H26N2/c1-10(2)14-8-7-11-9-15-13-6-4-3-5-12(11)13/h10-15H,3-9H2,1-2H3
InChIKeyUGNHQERAYGCBIM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine

N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine (PubChem CID 59848272) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine
PubChem CID59848272
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1CNC2CCCCC12
InChIInChI=1S/C13H26N2/c1-10(2)14-8-7-11-9-15-13-6-4-3-5-12(11)13/h10-15H,3-9H2,1-2H3
InChIKeyUGNHQERAYGCBIM-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine (CID 59848272) is N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine is CC(C)NCCC1CNC2CCCCC12.
What is the InChIKey of N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine?
The InChIKey is UGNHQERAYGCBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)14-8-7-11-9-15-13-6-4-3-5-12(11)13/h10-15H,3-9H2,1-2H3.
What are the key properties of N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine?
N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 59848272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).