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

C14H20N2 — CID 84622445

IUPAC2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C14H20N2/c1-9-6-10(2)13-11(7-9)12(8-16-13)14(3,4)15-5/h6-8,15-16H,1-5H3
InChIKeyYHBUVWIPVUTSQV-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.24
Rot. Bonds2

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

2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine (PubChem CID 84622445) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
PubChem CID84622445
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C14H20N2/c1-9-6-10(2)13-11(7-9)12(8-16-13)14(3,4)15-5/h6-8,15-16H,1-5H3
InChIKeyYHBUVWIPVUTSQV-UHFFFAOYSA-N
XLogP3.24
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine (CID 84622445) is 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine is CNC(C)(C)c1c[nH]c2c(C)cc(C)cc12.
What is the InChIKey of 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine?
The InChIKey is YHBUVWIPVUTSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-6-10(2)13-11(7-9)12(8-16-13)14(3,4)15-5/h6-8,15-16H,1-5H3.
What are the key properties of 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine?
2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 84622445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).