N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine

C11H14N2O2 — CID 54164704

IUPACN,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H14N2O2/c1-12(2)11-6-4-8-3-5-9(13(14)15)7-10(8)11/h3,5,7,11H,4,6H2,1-2H3
InChIKeyOQVHXEZRGOPVGF-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.14
Rot. Bonds2

About N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine

N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine (PubChem CID 54164704) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
PubChem CID54164704
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)C1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H14N2O2/c1-12(2)11-6-4-8-3-5-9(13(14)15)7-10(8)11/h3,5,7,11H,4,6H2,1-2H3
InChIKeyOQVHXEZRGOPVGF-UHFFFAOYSA-N
XLogP2.14
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-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

(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11008778
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
(2S)-2-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 129394828
6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349552
actinium;2-[4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]ethanol
CID 23518760
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 66694887
(4aS,10bS)-9-nitro-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 68912616
N-benzyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 23298449
2-cyclopropyl-4-nitrophenol
CID 58858109
3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10242083
1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 21338542

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine (CID 54164704) is N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine is CN(C)C1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OQVHXEZRGOPVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12(2)11-6-4-8-3-5-9(13(14)15)7-10(8)11/h3,5,7,11H,4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine?
N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 206.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 54164704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).