1-(1,2-dimethylindol-5-yl)propan-2-amine

C13H18N2 — CID 117204599

IUPAC1-(1,2-dimethylindol-5-yl)propan-2-amine
SMILESCc1cc2cc(CC(C)N)ccc2n1C
InChIInChI=1S/C13H18N2/c1-9(14)6-11-4-5-13-12(8-11)7-10(2)15(13)3/h4-5,7-9H,6,14H2,1-3H3
InChIKeyUHVXVXPBULKAIO-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.38
Rot. Bonds2

About 1-(1,2-dimethylindol-5-yl)propan-2-amine

1-(1,2-dimethylindol-5-yl)propan-2-amine (PubChem CID 117204599) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,2-dimethylindol-5-yl)propan-2-amine
PubChem CID117204599
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(1,2-dimethylindol-5-yl)propan-2-amine
SMILESCc1cc2cc(CC(C)N)ccc2n1C
InChIInChI=1S/C13H18N2/c1-9(14)6-11-4-5-13-12(8-11)7-10(2)15(13)3/h4-5,7-9H,6,14H2,1-3H3
InChIKeyUHVXVXPBULKAIO-UHFFFAOYSA-N
XLogP2.38
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-5-yl)propan-2-amine?
The IUPAC name of 1-(1,2-dimethylindol-5-yl)propan-2-amine (CID 117204599) is 1-(1,2-dimethylindol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1,2-dimethylindol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1,2-dimethylindol-5-yl)propan-2-amine is Cc1cc2cc(CC(C)N)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-5-yl)propan-2-amine?
The InChIKey is UHVXVXPBULKAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(14)6-11-4-5-13-12(8-11)7-10(2)15(13)3/h4-5,7-9H,6,14H2,1-3H3.
What are the key properties of 1-(1,2-dimethylindol-5-yl)propan-2-amine?
1-(1,2-dimethylindol-5-yl)propan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-5-yl)propan-2-amine is sourced from PubChem (CID 117204599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).