N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine

C13H18N2 — CID 117040535

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
SMILESCN(c1ccc2c(c1)CCC2)C1CNC1
InChIInChI=1S/C13H18N2/c1-15(13-8-14-9-13)12-6-5-10-3-2-4-11(10)7-12/h5-7,13-14H,2-4,8-9H2,1H3
InChIKeyPLEXQGYTLGPWED-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.58
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine

N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine (PubChem CID 117040535) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
PubChem CID117040535
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
SMILESCN(c1ccc2c(c1)CCC2)C1CNC1
InChIInChI=1S/C13H18N2/c1-15(13-8-14-9-13)12-6-5-10-3-2-4-11(10)7-12/h5-7,13-14H,2-4,8-9H2,1H3
InChIKeyPLEXQGYTLGPWED-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
N-(3,4-difluorophenyl)-N-methylazetidin-3-amine
CID 117040558
1-(azetidin-3-yl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylmethanamine
CID 115207637
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propane-1-thiol
CID 115224698
N-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
CID 115190982
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
CID 117040529
N-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 105450394
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987112
1-N-methyl-1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
CID 115117218
1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987164
N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
CID 115194463

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine (CID 117040535) is N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine is CN(c1ccc2c(c1)CCC2)C1CNC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine?
The InChIKey is PLEXQGYTLGPWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-15(13-8-14-9-13)12-6-5-10-3-2-4-11(10)7-12/h5-7,13-14H,2-4,8-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine?
N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 1.58, 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-5-yl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117040535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).