N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine

C12H17N3O2 — CID 18914093

IUPACN,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
SMILESCN(C)CCN1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C12H17N3O2/c1-13(2)7-8-14-6-5-10-3-4-11(15(16)17)9-12(10)14/h3-4,9H,5-8H2,1-2H3
InChIKeyDQPURLUVTLOIDI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.52
Rot. Bonds4

About N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine

N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 18914093) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
PubChem CID18914093
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
SMILESCN(C)CCN1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C12H17N3O2/c1-13(2)7-8-14-6-5-10-3-4-11(15(16)17)9-12(10)14/h3-4,9H,5-8H2,1-2H3
InChIKeyDQPURLUVTLOIDI-UHFFFAOYSA-N
XLogP1.52
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine 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-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine
CID 156801818
1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
CID 69040269
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-nitro-2,3-dihydroindole
CID 86789587
1-ethylsulfonyl-6-nitro-2,3-dihydroindole
CID 110287378
3-[methyl-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911081
1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one
CID 99777481
2-(6-amino-2,3-dihydroindol-1-yl)ethyl-trimethylazanium;methyl sulfate;trimethyl-[2-(6-nitro-2,3-dihydroindol-1-yl)ethyl]azanium;zinc;chloride;hydrochloride
CID 159905075
2-(6-nitro-2,3-dihydroindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86789594
N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110291960
1-methyl-6-nitro-2,3-dihydroindazole
CID 67278398
N,N-dimethyl-3-(9-nitro-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-ylidene)propan-1-amine
CID 54534525
tert-butyl N-[3-methyl-4-(6-nitro-2,3-dihydroindol-1-yl)butylidene]carbamate
CID 174470265

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine (CID 18914093) is N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine is CN(C)CCN1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is DQPURLUVTLOIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13(2)7-8-14-6-5-10-3-4-11(15(16)17)9-12(10)14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine?
N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 18914093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).