1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine

C16H24N2 — CID 107431889

IUPAC1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine
SMILESCCc1[nH]c2cc(C)cc(C)c2c1C(CC)NC
InChIInChI=1S/C16H24N2/c1-6-12(17-5)16-13(7-2)18-14-9-10(3)8-11(4)15(14)16/h8-9,12,17-18H,6-7H2,1-5H3
InChIKeyKIUJQKNKPCLEET-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine

1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine (PubChem CID 107431889) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine
PubChem CID107431889
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine
SMILESCCc1[nH]c2cc(C)cc(C)c2c1C(CC)NC
InChIInChI=1S/C16H24N2/c1-6-12(17-5)16-13(7-2)18-14-9-10(3)8-11(4)15(14)16/h8-9,12,17-18H,6-7H2,1-5H3
InChIKeyKIUJQKNKPCLEET-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine (CID 107431889) is 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine is CCc1[nH]c2cc(C)cc(C)c2c1C(CC)NC.
What is the InChIKey of 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine?
The InChIKey is KIUJQKNKPCLEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-6-12(17-5)16-13(7-2)18-14-9-10(3)8-11(4)15(14)16/h8-9,12,17-18H,6-7H2,1-5H3.
What are the key properties of 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine?
1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 107431889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).