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

C16H19N3 — CID 43708000

IUPAC3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H19N3/c1-19(2)16-15(8-5-9-17-16)18-14-10-12-6-3-4-7-13(12)11-14/h3-9,14,18H,10-11H2,1-2H3
InChIKeyIKZSMUWPOGNOAS-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.73
Rot. Bonds3

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

3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43708000) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43708000
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H19N3/c1-19(2)16-15(8-5-9-17-16)18-14-10-12-6-3-4-7-13(12)11-14/h3-9,14,18H,10-11H2,1-2H3
InChIKeyIKZSMUWPOGNOAS-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43708000) is 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NC1Cc2ccccc2C1.
What is the InChIKey of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is IKZSMUWPOGNOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-19(2)16-15(8-5-9-17-16)18-14-10-12-6-3-4-7-13(12)11-14/h3-9,14,18H,10-11H2,1-2H3.
What are the key properties of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43708000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).