3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine

C13H18N2 — CID 83859576

IUPAC3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine
SMILESCc1cc(C)c2[nH]c(CCCN)cc2c1
InChIInChI=1S/C13H18N2/c1-9-6-10(2)13-11(7-9)8-12(15-13)4-3-5-14/h6-8,15H,3-5,14H2,1-2H3
InChIKeyVWAOSQXLBZTPML-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.68
Rot. Bonds3

About 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine

3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine (PubChem CID 83859576) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine
PubChem CID83859576
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine
SMILESCc1cc(C)c2[nH]c(CCCN)cc2c1
InChIInChI=1S/C13H18N2/c1-9-6-10(2)13-11(7-9)8-12(15-13)4-3-5-14/h6-8,15H,3-5,14H2,1-2H3
InChIKeyVWAOSQXLBZTPML-UHFFFAOYSA-N
XLogP2.68
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine?
The IUPAC name of 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine (CID 83859576) is 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine is Cc1cc(C)c2[nH]c(CCCN)cc2c1.
What is the InChIKey of 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine?
The InChIKey is VWAOSQXLBZTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-6-10(2)13-11(7-9)8-12(15-13)4-3-5-14/h6-8,15H,3-5,14H2,1-2H3.
What are the key properties of 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine?
3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine is sourced from PubChem (CID 83859576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).