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

C15H24N2O — CID 103136377

IUPACN-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC3CCC(C)O3)cc21
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(18-11)9-17-8-12-4-3-5-15(16-2)14(12)10-17/h8,10-11,13,15-16H,3-7,9H2,1-2H3
InChIKeyTVCXKNLVYQLCDQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds3

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

N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 103136377) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID103136377
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC3CCC(C)O3)cc21
InChIInChI=1S/C15H24N2O/c1-11-6-7-13(18-11)9-17-8-12-4-3-5-15(16-2)14(12)10-17/h8,10-11,13,15-16H,3-7,9H2,1-2H3
InChIKeyTVCXKNLVYQLCDQ-UHFFFAOYSA-N
XLogP2.65
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-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 N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 103136377) is N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(CC3CCC(C)O3)cc21.
What is the InChIKey of N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is TVCXKNLVYQLCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-13(18-11)9-17-8-12-4-3-5-15(16-2)14(12)10-17/h8,10-11,13,15-16H,3-7,9H2,1-2H3.
What are the key properties of N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine?
N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyloxolan-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 103136377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).