1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine

C19H30N2 — CID 64842460

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C19H30N2/c1-5-19(4)13-20-18(2,3)14-21(19)12-15-9-10-16-7-6-8-17(16)11-15/h9-11,20H,5-8,12-14H2,1-4H3
InChIKeySCTIAFNOFFCJGM-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.53
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine

1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine (PubChem CID 64842460) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
PubChem CID64842460
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C19H30N2/c1-5-19(4)13-20-18(2,3)14-21(19)12-15-9-10-16-7-6-8-17(16)11-15/h9-11,20H,5-8,12-14H2,1-4H3
InChIKeySCTIAFNOFFCJGM-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine (CID 64842460) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine is CCC1(C)CNC(C)(C)CN1Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine?
The InChIKey is SCTIAFNOFFCJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-19(4)13-20-18(2,3)14-21(19)12-15-9-10-16-7-6-8-17(16)11-15/h9-11,20H,5-8,12-14H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64842460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).