2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine

C18H28N2 — CID 62331020

IUPAC2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1N1CCC(C)CC1C
InChIInChI=1S/C18H28N2/c1-4-19-18-16-8-6-5-7-15(16)12-17(18)20-10-9-13(2)11-14(20)3/h5-8,13-14,17-19H,4,9-12H2,1-3H3
InChIKeyVHMBDCLCYMTYEM-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds3

About 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine

2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 62331020) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID62331020
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1N1CCC(C)CC1C
InChIInChI=1S/C18H28N2/c1-4-19-18-16-8-6-5-7-15(16)12-17(18)20-10-9-13(2)11-14(20)3/h5-8,13-14,17-19H,4,9-12H2,1-3H3
InChIKeyVHMBDCLCYMTYEM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine 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 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine (CID 62331020) is 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine is CCNC1c2ccccc2CC1N1CCC(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VHMBDCLCYMTYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-19-18-16-8-6-5-7-15(16)12-17(18)20-10-9-13(2)11-14(20)3/h5-8,13-14,17-19H,4,9-12H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 62331020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).