N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine

C13H18N2 — CID 66185429

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine
SMILESCN(C1CNC1)C1Cc2ccccc2C1
InChIInChI=1S/C13H18N2/c1-15(13-8-14-9-13)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-14H,6-9H2,1H3
InChIKeyDTPVFEQFWIJWIG-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.06
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine

N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine (PubChem CID 66185429) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine
PubChem CID66185429
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine
SMILESCN(C1CNC1)C1Cc2ccccc2C1
InChIInChI=1S/C13H18N2/c1-15(13-8-14-9-13)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-14H,6-9H2,1H3
InChIKeyDTPVFEQFWIJWIG-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine (CID 66185429) is N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine is CN(C1CNC1)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine?
The InChIKey is DTPVFEQFWIJWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-15(13-8-14-9-13)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-14H,6-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine?
N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 1.06, 2 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-2-yl)-N-methylazetidin-3-amine is sourced from PubChem (CID 66185429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).