3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane

C14H20N2 — CID 163805629

IUPAC3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane
SMILESCC1Cc2ccc(C3CCCNN3)cc2C1
InChIInChI=1S/C14H20N2/c1-10-7-11-4-5-12(9-13(11)8-10)14-3-2-6-15-16-14/h4-5,9-10,14-16H,2-3,6-8H2,1H3
InChIKeyNIUHNEKCLKGSDB-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.35
Rot. Bonds1

About 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane

3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane (PubChem CID 163805629) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane
PubChem CID163805629
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane
SMILESCC1Cc2ccc(C3CCCNN3)cc2C1
InChIInChI=1S/C14H20N2/c1-10-7-11-4-5-12(9-13(11)8-10)14-3-2-6-15-16-14/h4-5,9-10,14-16H,2-3,6-8H2,1H3
InChIKeyNIUHNEKCLKGSDB-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane?
The IUPAC name of 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane (CID 163805629) is 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane.
What is the SMILES notation for 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane?
The canonical SMILES for 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane is CC1Cc2ccc(C3CCCNN3)cc2C1.
What is the InChIKey of 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane?
The InChIKey is NIUHNEKCLKGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-7-11-4-5-12(9-13(11)8-10)14-3-2-6-15-16-14/h4-5,9-10,14-16H,2-3,6-8H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane?
3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane has a molecular weight of 216.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydro-1H-inden-5-yl)diazinane is sourced from PubChem (CID 163805629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).