(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine

C11H18N2 — CID 146035529

IUPAC(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine
SMILESC[C@H](CC1CNC2C1=CC=CC2)N
InChIInChI=1S/C11H18N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-4,8-9,11,13H,5-7,12H2,1H3/t8-,9?,11?/m1/s1
InChIKeyGLOGXFIUNBZUDB-FKTRJACZSA-N
MW178.27 g/mol
LogP0.50
Rot. Bonds2

About (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine

(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine (PubChem CID 146035529) has the molecular formula C11H18N2 and a molecular weight of 178.27 g/mol. Its IUPAC name is (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine
PubChem CID146035529
Molecular FormulaC11H18N2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine
SMILESC[C@H](CC1CNC2C1=CC=CC2)N
InChIInChI=1S/C11H18N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-4,8-9,11,13H,5-7,12H2,1H3/t8-,9?,11?/m1/s1
InChIKeyGLOGXFIUNBZUDB-FKTRJACZSA-N
XLogP0.50
TPSA38.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity242

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
Dihydroisoindoline
CID 18315888
2,3,3a,4,5,7a-Hexahydroindole
CID 18426479
4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 20247922
3,3a,4,4a,8a,8b-Hexahydrocyclopenta[b]indole
CID 22490754
Hexahydroisoindole
CID 53401231
Hexahydrocyclopentaindole
CID 68427717
Hexahydrocycloheptindole
CID 129779532
1-[(1S,2S)-2-[4-(3-fluoropyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropyl]-N-methylmethanamine
CID 70814158
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
2-(4-Fluoro-3-methylcyclohex-3-en-1-yl)-3-(3-propan-2-yl-4-propylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 123157584

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine (CID 146035529) is (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine is C[C@H](CC1CNC2C1=CC=CC2)N.
What is the InChIKey of (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine?
The InChIKey is GLOGXFIUNBZUDB-FKTRJACZSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-4,8-9,11,13H,5-7,12H2,1H3/t8-,9?,11?/m1/s1.
What are the key properties of (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine?
(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine has a molecular weight of 178.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 146035529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).