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

C10H16N2 — CID 22902208

IUPACN,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESCN(C)C12C=CC=CC1CNC2
InChIInChI=1S/C10H16N2/c1-12(2)10-6-4-3-5-9(10)7-11-8-10/h3-6,9,11H,7-8H2,1-2H3
InChIKeyWKYQTWSIXBTRFY-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.63
Rot. Bonds1

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

N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine (PubChem CID 22902208) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine
PubChem CID22902208
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESCN(C)C12C=CC=CC1CNC2
InChIInChI=1S/C10H16N2/c1-12(2)10-6-4-3-5-9(10)7-11-8-10/h3-6,9,11H,7-8H2,1-2H3
InChIKeyWKYQTWSIXBTRFY-UHFFFAOYSA-N
XLogP0.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The IUPAC name of N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine (CID 22902208) is N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine.
What is the SMILES notation for N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The canonical SMILES for N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine is CN(C)C12C=CC=CC1CNC2.
What is the InChIKey of N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The InChIKey is WKYQTWSIXBTRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12(2)10-6-4-3-5-9(10)7-11-8-10/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine has a molecular weight of 164.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,2,3,7a-tetrahydroisoindol-3a-amine is sourced from PubChem (CID 22902208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).