2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine

C16H26N2O — CID 54986887

IUPAC2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCOCCN(CC(C)C)C1Cc2ccccc2C1N
InChIInChI=1S/C16H26N2O/c1-12(2)11-18(8-9-19-3)15-10-13-6-4-5-7-14(13)16(15)17/h4-7,12,15-16H,8-11,17H2,1-3H3
InChIKeyQNPQOKMPEZOTKQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds6

About 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 54986887) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID54986887
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCOCCN(CC(C)C)C1Cc2ccccc2C1N
InChIInChI=1S/C16H26N2O/c1-12(2)11-18(8-9-19-3)15-10-13-6-4-5-7-14(13)16(15)17/h4-7,12,15-16H,8-11,17H2,1-3H3
InChIKeyQNPQOKMPEZOTKQ-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-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 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine (CID 54986887) is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine is COCCN(CC(C)C)C1Cc2ccccc2C1N.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is QNPQOKMPEZOTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)11-18(8-9-19-3)15-10-13-6-4-5-7-14(13)16(15)17/h4-7,12,15-16H,8-11,17H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 54986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).