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

C11H16N2 — CID 89084552

IUPAC1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine
SMILESCC(N)CC1C=NC2C=CC=CC12
InChIInChI=1S/C11H16N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-11H,6,12H2,1H3
InChIKeyMDIMJXUBFQRABM-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.54
Rot. Bonds2

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

1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine (PubChem CID 89084552) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine
PubChem CID89084552
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine
SMILESCC(N)CC1C=NC2C=CC=CC12
InChIInChI=1S/C11H16N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-11H,6,12H2,1H3
InChIKeyMDIMJXUBFQRABM-UHFFFAOYSA-N
XLogP1.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine (CID 89084552) is 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine is CC(N)CC1C=NC2C=CC=CC12.
What is the InChIKey of 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine?
The InChIKey is MDIMJXUBFQRABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-11H,6,12H2,1H3.
What are the key properties of 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine?
1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine has a molecular weight of 176.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 89084552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).