N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide

C13H19N3 — CID 59966268

IUPACN,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide
SMILESCNC1CCc2ccc(/N=C/N(C)C)cc21
InChIInChI=1S/C13H19N3/c1-14-13-7-5-10-4-6-11(8-12(10)13)15-9-16(2)3/h4,6,8-9,13-14H,5,7H2,1-3H3/b15-9+
InChIKeyASTYJSMMPHXFMC-OQLLNIDSSA-N
MW217.32 g/mol
LogP2.11
Rot. Bonds3

About N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide

N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide (PubChem CID 59966268) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide
PubChem CID59966268
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide
SMILESCNC1CCc2ccc(/N=C/N(C)C)cc21
InChIInChI=1S/C13H19N3/c1-14-13-7-5-10-4-6-11(8-12(10)13)15-9-16(2)3/h4,6,8-9,13-14H,5,7H2,1-3H3/b15-9+
InChIKeyASTYJSMMPHXFMC-OQLLNIDSSA-N
XLogP2.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide (CID 59966268) is N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide is CNC1CCc2ccc(/N=C/N(C)C)cc21.
What is the InChIKey of N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide?
The InChIKey is ASTYJSMMPHXFMC-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H19N3/c1-14-13-7-5-10-4-6-11(8-12(10)13)15-9-16(2)3/h4,6,8-9,13-14H,5,7H2,1-3H3/b15-9+.
What are the key properties of N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide?
N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide has a molecular weight of 217.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[3-(methylamino)-2,3-dihydro-1H-inden-5-yl]methanimidamide is sourced from PubChem (CID 59966268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).