N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine

C15H24N2 — CID 79646356

IUPACN'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCc2ccccc21
InChIInChI=1S/C15H24N2/c1-15(2,10-16)11-17(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-11,16H2,1-3H3
InChIKeyADQPUXWTTBARME-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.59
Rot. Bonds4

About N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine

N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79646356) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79646356
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCc2ccccc21
InChIInChI=1S/C15H24N2/c1-15(2,10-16)11-17(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-11,16H2,1-3H3
InChIKeyADQPUXWTTBARME-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine 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 N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine (CID 79646356) is N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine is CN(CC(C)(C)CN)C1CCc2ccccc21.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is ADQPUXWTTBARME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,10-16)11-17(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-11,16H2,1-3H3.
What are the key properties of N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79646356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).