1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine

C23H39N3 — CID 3129766

IUPAC1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCNCC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C
InChIInChI=1S/C23H39N3/c1-17(25-11-14-26-12-9-24-10-13-26)20-15-18(22(2,3)4)16-21-19(20)7-8-23(21,5)6/h15-17,24-25H,7-14H2,1-6H3
InChIKeyUYHZWEKCQRKFCH-UHFFFAOYSA-N
MW357.59 g/mol
LogP3.76
Rot. Bonds5

About 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine

1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine (PubChem CID 3129766) has the molecular formula C23H39N3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
PubChem CID3129766
Molecular FormulaC23H39N3
Molecular Weight357.59 g/mol
Exact Mass357.31
IUPAC Name1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCNCC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C
InChIInChI=1S/C23H39N3/c1-17(25-11-14-26-12-9-24-10-13-26)20-15-18(22(2,3)4)16-21-19(20)7-8-23(21,5)6/h15-17,24-25H,7-14H2,1-6H3
InChIKeyUYHZWEKCQRKFCH-UHFFFAOYSA-N
XLogP3.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The IUPAC name of 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine (CID 3129766) is 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine is CC(NCCN1CCNCC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C.
What is the InChIKey of 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
The InChIKey is UYHZWEKCQRKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3/c1-17(25-11-14-26-12-9-24-10-13-26)20-15-18(22(2,3)4)16-21-19(20)7-8-23(21,5)6/h15-17,24-25H,7-14H2,1-6H3.
What are the key properties of 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine?
1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine has a molecular weight of 357.59 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine is sourced from PubChem (CID 3129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).