5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium

C25H39ClI3N4OV — CID 158413359

IUPAC5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium
SMILESC.CC(=O)CCCCl.Cc1ccc(NN)cc1.Cc1ccc2[nH]c(C)c(CCN)c2c1.I[V](I)I
InChIInChI=1S/C12H16N2.C7H10N2.C5H9ClO.CH4.3HI.V/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12;1-6-2-4-7(9-8)5-3-6;1-5(7)3-2-4-6;;;;;/h3-4,7,14H,5-6,13H2,1-2H3;2-5,9H,8H2,1H3;2-4H2,1H3;1H4;3*1H;/q;;;;;;;+3/p-3
InChIKeyGZOUPUMWILDHBV-UHFFFAOYSA-K
MW878.72 g/mol
LogP8.45
Rot. Bonds6

About 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium

5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium (PubChem CID 158413359) has the molecular formula C25H39ClI3N4OV and a molecular weight of 878.72 g/mol. Its IUPAC name is 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium.

Molecular Properties

Compound Name5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium
PubChem CID158413359
Molecular FormulaC25H39ClI3N4OV
Molecular Weight878.72 g/mol
Exact Mass877.94
IUPAC Name5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium
SMILESC.CC(=O)CCCCl.Cc1ccc(NN)cc1.Cc1ccc2[nH]c(C)c(CCN)c2c1.I[V](I)I
InChIInChI=1S/C12H16N2.C7H10N2.C5H9ClO.CH4.3HI.V/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12;1-6-2-4-7(9-8)5-3-6;1-5(7)3-2-4-6;;;;;/h3-4,7,14H,5-6,13H2,1-2H3;2-5,9H,8H2,1H3;2-4H2,1H3;1H4;3*1H;/q;;;;;;;+3/p-3
InChIKeyGZOUPUMWILDHBV-UHFFFAOYSA-K
XLogP8.45
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.72
LogP ≤ 58.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium 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

5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
3-(3-aminopropyl)-5-[(4-methylphenyl)carbamoyl]-1H-indole-2-carboxylic acid
CID 25006601
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
5-[2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]pentan-2-one
CID 148796620
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide
CID 3887038
3-(2-aminoethyl)-2,5-dimethyl-1H-indole-6-carboxylic acid
CID 83964250
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(Z)-[(3S)-3-hydroxybutan-2-ylidene]amino]acetamide
CID 7317749
1-butyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiourea
CID 43953000

Frequently Asked Questions

What is the IUPAC name of 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium?
The IUPAC name of 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium (CID 158413359) is 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium.
What is the SMILES notation for 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium?
The canonical SMILES for 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium is C.CC(=O)CCCCl.Cc1ccc(NN)cc1.Cc1ccc2[nH]c(C)c(CCN)c2c1.I[V](I)I.
What is the InChIKey of 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium?
The InChIKey is GZOUPUMWILDHBV-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H16N2.C7H10N2.C5H9ClO.CH4.3HI.V/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12;1-6-2-4-7(9-8)5-3-6;1-5(7)3-2-4-6;;;;;/h3-4,7,14H,5-6,13H2,1-2H3;2-5,9H,8H2,1H3;2-4H2,1H3;1H4;3*1H;/q;;;;;;;+3/p-3.
What are the key properties of 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium?
5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium has a molecular weight of 878.72 g/mol, XLogP of 8.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentan-2-one;2-(2,5-dimethyl-1H-indol-3-yl)ethanamine;methane;(4-methylphenyl)hydrazine;triiodovanadium is sourced from PubChem (CID 158413359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).