6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine

C16H25NO — CID 79837179

IUPAC6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2ccc(OCC)cc21
InChIInChI=1S/C16H25NO/c1-5-9-17-15-11-16(3,4)14-8-7-12(18-6-2)10-13(14)15/h7-8,10,15,17H,5-6,9,11H2,1-4H3
InChIKeyWPHCKFOMABDFDD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.81
Rot. Bonds5

About 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine

6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine (PubChem CID 79837179) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
PubChem CID79837179
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2ccc(OCC)cc21
InChIInChI=1S/C16H25NO/c1-5-9-17-15-11-16(3,4)14-8-7-12(18-6-2)10-13(14)15/h7-8,10,15,17H,5-6,9,11H2,1-4H3
InChIKeyWPHCKFOMABDFDD-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The IUPAC name of 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine (CID 79837179) is 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine is CCCNC1CC(C)(C)c2ccc(OCC)cc21.
What is the InChIKey of 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The InChIKey is WPHCKFOMABDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-9-17-15-11-16(3,4)14-8-7-12(18-6-2)10-13(14)15/h7-8,10,15,17H,5-6,9,11H2,1-4H3.
What are the key properties of 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79837179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).