1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine

C15H22N2 — CID 170000398

IUPAC1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cn1cc(C)c2cc(C)ccc21
InChIInChI=1S/C15H22N2/c1-11-6-7-14-13(8-11)12(2)9-17(14)10-15(3,4)16-5/h6-9,16H,10H2,1-5H3
InChIKeyOLCGXMWXWDWBQQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine

1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine (PubChem CID 170000398) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine
PubChem CID170000398
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cn1cc(C)c2cc(C)ccc21
InChIInChI=1S/C15H22N2/c1-11-6-7-14-13(8-11)12(2)9-17(14)10-15(3,4)16-5/h6-9,16H,10H2,1-5H3
InChIKeyOLCGXMWXWDWBQQ-UHFFFAOYSA-N
XLogP3.26
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine (CID 170000398) is 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine is CNC(C)(C)Cn1cc(C)c2cc(C)ccc21.
What is the InChIKey of 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine?
The InChIKey is OLCGXMWXWDWBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-6-7-14-13(8-11)12(2)9-17(14)10-15(3,4)16-5/h6-9,16H,10H2,1-5H3.
What are the key properties of 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine?
1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 170000398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).