3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine

C16H25N — CID 115483170

IUPAC3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2cc(C)c(C)cc21
InChIInChI=1S/C16H25N/c1-6-7-17-15-10-16(4,5)14-9-12(3)11(2)8-13(14)15/h8-9,15,17H,6-7,10H2,1-5H3
InChIKeyVZJJACSASZDJTL-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.03
Rot. Bonds3

About 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine

3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine (PubChem CID 115483170) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
PubChem CID115483170
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2cc(C)c(C)cc21
InChIInChI=1S/C16H25N/c1-6-7-17-15-10-16(4,5)14-9-12(3)11(2)8-13(14)15/h8-9,15,17H,6-7,10H2,1-5H3
InChIKeyVZJJACSASZDJTL-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine?
The IUPAC name of 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine (CID 115483170) is 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine is CCCNC1CC(C)(C)c2cc(C)c(C)cc21.
What is the InChIKey of 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine?
The InChIKey is VZJJACSASZDJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-6-7-17-15-10-16(4,5)14-9-12(3)11(2)8-13(14)15/h8-9,15,17H,6-7,10H2,1-5H3.
What are the key properties of 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine?
3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 115483170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).