2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C16H26N2O — CID 116523018

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC3CCC(C)(C)O3)cc21
InChIInChI=1S/C16H26N2O/c1-16(2)8-7-13(19-16)10-18-9-12-5-4-6-15(17-3)14(12)11-18/h9,11,13,15,17H,4-8,10H2,1-3H3
InChIKeyPPXHEVCQCPQIOH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.04
Rot. Bonds3

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 116523018) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID116523018
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC3CCC(C)(C)O3)cc21
InChIInChI=1S/C16H26N2O/c1-16(2)8-7-13(19-16)10-18-9-12-5-4-6-15(17-3)14(12)11-18/h9,11,13,15,17H,4-8,10H2,1-3H3
InChIKeyPPXHEVCQCPQIOH-UHFFFAOYSA-N
XLogP3.04
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 116523018) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(CC3CCC(C)(C)O3)cc21.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is PPXHEVCQCPQIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)8-7-13(19-16)10-18-9-12-5-4-6-15(17-3)14(12)11-18/h9,11,13,15,17H,4-8,10H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 116523018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).