3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine

C14H24N2 — CID 59014917

IUPAC3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCC1=CCC2CNCC2=C1
InChIInChI=1S/C14H24N2/c1-3-16(2)8-4-5-12-6-7-13-10-15-11-14(13)9-12/h6,9,13,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyCPQFWIADSLGBDJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.19
Rot. Bonds5

About 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine

3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine (PubChem CID 59014917) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine
PubChem CID59014917
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCC1=CCC2CNCC2=C1
InChIInChI=1S/C14H24N2/c1-3-16(2)8-4-5-12-6-7-13-10-15-11-14(13)9-12/h6,9,13,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyCPQFWIADSLGBDJ-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine (CID 59014917) is 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine is CCN(C)CCCC1=CCC2CNCC2=C1.
What is the InChIKey of 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine?
The InChIKey is CPQFWIADSLGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-16(2)8-4-5-12-6-7-13-10-15-11-14(13)9-12/h6,9,13,15H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine?
3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-N-ethyl-N-methylpropan-1-amine is sourced from PubChem (CID 59014917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).