N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine

C9H14N2 — CID 22902211

IUPACN-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESCNC12C=CC=CC1CNC2
InChIInChI=1S/C9H14N2/c1-10-9-5-3-2-4-8(9)6-11-7-9/h2-5,8,10-11H,6-7H2,1H3
InChIKeyNYGOKRSIGCKLLX-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.29
Rot. Bonds1

About N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine

N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine (PubChem CID 22902211) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine.

Molecular Properties

Compound NameN-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine
PubChem CID22902211
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESCNC12C=CC=CC1CNC2
InChIInChI=1S/C9H14N2/c1-10-9-5-3-2-4-8(9)6-11-7-9/h2-5,8,10-11H,6-7H2,1H3
InChIKeyNYGOKRSIGCKLLX-UHFFFAOYSA-N
XLogP0.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The IUPAC name of N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine (CID 22902211) is N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine.
What is the SMILES notation for N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The canonical SMILES for N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine is CNC12C=CC=CC1CNC2.
What is the InChIKey of N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The InChIKey is NYGOKRSIGCKLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-10-9-5-3-2-4-8(9)6-11-7-9/h2-5,8,10-11H,6-7H2,1H3.
What are the key properties of N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine has a molecular weight of 150.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine is sourced from PubChem (CID 22902211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).