2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C11H18N2 — CID 83213062

IUPAC2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCn1cc2c(c1)C(NC)CCC2
InChIInChI=1S/C11H18N2/c1-3-13-7-9-5-4-6-11(12-2)10(9)8-13/h7-8,11-12H,3-6H2,1-2H3
InChIKeyCEANBGAKSQXTJY-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.10
Rot. Bonds2

About 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213062) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213062
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCn1cc2c(c1)C(NC)CCC2
InChIInChI=1S/C11H18N2/c1-3-13-7-9-5-4-6-11(12-2)10(9)8-13/h7-8,11-12H,3-6H2,1-2H3
InChIKeyCEANBGAKSQXTJY-UHFFFAOYSA-N
XLogP2.10
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213062) is 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CCn1cc2c(c1)C(NC)CCC2.
What is the InChIKey of 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is CEANBGAKSQXTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-13-7-9-5-4-6-11(12-2)10(9)8-13/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 178.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).