2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine

C13H23N3 — CID 114526233

IUPAC2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCN(C)CCCn1cc2c(c1)C(N)CCC2
InChIInChI=1S/C13H23N3/c1-15(2)7-4-8-16-9-11-5-3-6-13(14)12(11)10-16/h9-10,13H,3-8,14H2,1-2H3
InChIKeyMAGNJKYAISTOMY-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.78
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine

2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 114526233) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID114526233
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCN(C)CCCn1cc2c(c1)C(N)CCC2
InChIInChI=1S/C13H23N3/c1-15(2)7-4-8-16-9-11-5-3-6-13(14)12(11)10-16/h9-10,13H,3-8,14H2,1-2H3
InChIKeyMAGNJKYAISTOMY-UHFFFAOYSA-N
XLogP1.78
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 114526233) is 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine is CN(C)CCCn1cc2c(c1)C(N)CCC2.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is MAGNJKYAISTOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-15(2)7-4-8-16-9-11-5-3-6-13(14)12(11)10-16/h9-10,13H,3-8,14H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine?
2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 114526233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).