5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine

C14H21NO2 — CID 79838516

IUPAC5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
SMILESCNC1CC(C)(C)c2cc(OC)c(OC)cc21
InChIInChI=1S/C14H21NO2/c1-14(2)8-11(15-3)9-6-12(16-4)13(17-5)7-10(9)14/h6-7,11,15H,8H2,1-5H3
InChIKeyYUORMIVTNJVIPB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds3

About 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine

5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine (PubChem CID 79838516) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
PubChem CID79838516
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
SMILESCNC1CC(C)(C)c2cc(OC)c(OC)cc21
InChIInChI=1S/C14H21NO2/c1-14(2)8-11(15-3)9-6-12(16-4)13(17-5)7-10(9)14/h6-7,11,15H,8H2,1-5H3
InChIKeyYUORMIVTNJVIPB-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine (CID 79838516) is 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine is CNC1CC(C)(C)c2cc(OC)c(OC)cc21.
What is the InChIKey of 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine?
The InChIKey is YUORMIVTNJVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)8-11(15-3)9-6-12(16-4)13(17-5)7-10(9)14/h6-7,11,15H,8H2,1-5H3.
What are the key properties of 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine?
5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79838516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).