2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine

C16H24N2 — CID 84741686

IUPAC2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C(C)C)[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C16H24N2/c1-10(2)16-13(6-7-17-5)15-12(4)8-11(3)9-14(15)18-16/h8-10,17-18H,6-7H2,1-5H3
InChIKeyYWTUUUTXDVSZMF-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.67
Rot. Bonds4

About 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine

2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 84741686) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
PubChem CID84741686
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C(C)C)[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C16H24N2/c1-10(2)16-13(6-7-17-5)15-12(4)8-11(3)9-14(15)18-16/h8-10,17-18H,6-7H2,1-5H3
InChIKeyYWTUUUTXDVSZMF-UHFFFAOYSA-N
XLogP3.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine (CID 84741686) is 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine is CNCCc1c(C(C)C)[nH]c2cc(C)cc(C)c12.
What is the InChIKey of 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is YWTUUUTXDVSZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10(2)16-13(6-7-17-5)15-12(4)8-11(3)9-14(15)18-16/h8-10,17-18H,6-7H2,1-5H3.
What are the key properties of 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 84741686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).