1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine

C11H16N2 — CID 105436662

IUPAC1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine
SMILESCN(C)C1CCc2c(N)cccc21
InChIInChI=1S/C11H16N2/c1-13(2)11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11H,6-7,12H2,1-2H3
InChIKeyDVFYWGXTZTVTKN-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.82
Rot. Bonds1

About 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine

1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine (PubChem CID 105436662) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine
PubChem CID105436662
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine
SMILESCN(C)C1CCc2c(N)cccc21
InChIInChI=1S/C11H16N2/c1-13(2)11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11H,6-7,12H2,1-2H3
InChIKeyDVFYWGXTZTVTKN-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine (CID 105436662) is 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine is CN(C)C1CCc2c(N)cccc21.
What is the InChIKey of 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine?
The InChIKey is DVFYWGXTZTVTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13(2)11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11H,6-7,12H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine?
1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,4-diamine is sourced from PubChem (CID 105436662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).