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

C16H30N2O — CID 61435668

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CC1CC2CCCCC2N1)CC1CCCO1
InChIInChI=1S/C16H30N2O/c1-2-18(12-15-7-5-9-19-15)11-14-10-13-6-3-4-8-16(13)17-14/h13-17H,2-12H2,1H3
InChIKeyISZNQVJBQNULHR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds5

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

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 61435668) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID61435668
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(CC1CC2CCCCC2N1)CC1CCCO1
InChIInChI=1S/C16H30N2O/c1-2-18(12-15-7-5-9-19-15)11-14-10-13-6-3-4-8-16(13)17-14/h13-17H,2-12H2,1H3
InChIKeyISZNQVJBQNULHR-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 61435668) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine is CCN(CC1CC2CCCCC2N1)CC1CCCO1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is ISZNQVJBQNULHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-18(12-15-7-5-9-19-15)11-14-10-13-6-3-4-8-16(13)17-14/h13-17H,2-12H2,1H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 61435668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).