diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine

C64H87I4N9O3 — CID 158053508

IUPACdiiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine
SMILESC.C.CI.CI.CNC.CO.Cc1cccc2[nH]cc(CC#N)c12.Cc1cccc2[nH]cc(CN(C)C)c12.Cc1cccc2[nH]ccc12.Cc1cccc2c1c(CC#N)cn2C.Cc1cccc2c1c(CC(=O)O)cn2C.ICI
InChIInChI=1S/C12H16N2.C12H12N2.C12H13NO2.C11H10N2.C9H9N.C2H7N.CH2I2.2CH3I.CH4O.2CH4/c1-9-5-4-6-11-12(9)10(7-13-11)8-14(2)3;1-9-4-3-5-11-12(9)10(6-7-13)8-14(11)2;1-8-4-3-5-10-12(8)9(6-11(14)15)7-13(10)2;1-8-3-2-4-10-11(8)9(5-6-12)7-13-10;1-7-3-2-4-9-8(7)5-6-10-9;1-3-2;2-1-3;3*1-2;;/h4-7,13H,8H2,1-3H3;3-5,8H,6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,14,15);2-4,7,13H,5H2,1H3;2-6,10H,1H3;3H,1-2H3;1H2;2*1H3;2H,1H3;2*1H4
InChIKeyFJTMTQRIGQSYCP-UHFFFAOYSA-N
MW1538.08 g/mol
LogP16.86
Rot. Bonds6

About diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine

diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine (PubChem CID 158053508) has the molecular formula C64H87I4N9O3 and a molecular weight of 1538.08 g/mol. Its IUPAC name is diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine.

Molecular Properties

Compound Namediiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine
PubChem CID158053508
Molecular FormulaC64H87I4N9O3
Molecular Weight1538.08 g/mol
Exact Mass1537.31
IUPAC Namediiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine
SMILESC.C.CI.CI.CNC.CO.Cc1cccc2[nH]cc(CC#N)c12.Cc1cccc2[nH]cc(CN(C)C)c12.Cc1cccc2[nH]ccc12.Cc1cccc2c1c(CC#N)cn2C.Cc1cccc2c1c(CC(=O)O)cn2C.ICI
InChIInChI=1S/C12H16N2.C12H12N2.C12H13NO2.C11H10N2.C9H9N.C2H7N.CH2I2.2CH3I.CH4O.2CH4/c1-9-5-4-6-11-12(9)10(7-13-11)8-14(2)3;1-9-4-3-5-11-12(9)10(6-7-13)8-14(11)2;1-8-4-3-5-10-12(8)9(6-11(14)15)7-13(10)2;1-8-3-2-4-10-11(8)9(5-6-12)7-13-10;1-7-3-2-4-9-8(7)5-6-10-9;1-3-2;2-1-3;3*1-2;;/h4-7,13H,8H2,1-3H3;3-5,8H,6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,14,15);2-4,7,13H,5H2,1H3;2-6,10H,1H3;3H,1-2H3;1H2;2*1H3;2H,1H3;2*1H4
InChIKeyFJTMTQRIGQSYCP-UHFFFAOYSA-N
XLogP16.86
TPSA177.61 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.08
LogP ≤ 516.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine with MolForge

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Related Compounds

2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine
CID 157075907
2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)
CID 157229470
3-[5-(hydroxymethyl)-1H-indol-3-yl]-4-(5-iodo-1H-indol-3-yl)cyclobut-3-ene-1,2-dione;3-(1-methylindol-3-yl)-4-(2-methyl-1H-indol-3-yl)cyclobut-3-ene-1,2-dione;3-(1-methylindol-3-yl)-4-(2-phenyl-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 157362678
2-(3H-inden-1-yl)-1,2-bis(1H-indol-3-yl)ethanone;3-[1-(3H-inden-1-yl)ethyl]-1H-indole;1-(3H-inden-1-yl)-1-(1H-indol-3-yl)butan-2-ol;3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole;3-(3H-inden-1-ylmethyl)-1H-indole;3-[3H-inden-1-yl(naphthalen-1-yl)methyl]-1H-indole
CID 157471665
2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-2,3-dihydro-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole;5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole
CID 157698540
2-(1H-indol-3-yl)acetic acid;4-(1H-indol-2-yl)butanoic acid;4-(1H-indol-3-yl)butanoic acid
CID 157915595
3-butan-2-yl-6-tert-butyl-1H-indole;tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate
CID 158095978
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)ethanol;3-(5-bromo-1H-indol-3-yl)propanamide;3-(5-bromo-1H-indol-3-yl)propanenitrile;methane;methyl 2-(5-bromo-1H-indol-3-yl)acetate;3-[5-(3-methylphenyl)-1H-indol-3-yl]propanamide;3-[5-(3-methylphenyl)-1-octylindol-3-yl]propanamide
CID 158106285
ethyl 2-(1H-indol-3-yl)acetate;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)propanoic acid;methyl 3-(2-ethoxy-2-oxoethyl)indole-1-carboxylate;methyl 3-(1-ethoxy-1-oxopropan-2-yl)indole-1-carboxylate
CID 158509619
2,2-bis(1-methylindol-3-yl)acetic acid;methyl 2,2-bis(1H-indol-3-yl)acetate;methyl 2,2-bis(1-methylindol-3-yl)acetate
CID 158561252
2-(1-butylindol-3-yl)acetic acid;deuterio(fluoro)methane;methyl 2-(1-butylindol-3-yl)acetate;methyl 2-(1H-indol-3-yl)acetate
CID 158775351
2-[1-[[2-(Benzylamino)phenyl]methyl]indol-3-yl]acetic acid;ethyl 2-[1-[(2-aminophenyl)methyl]indol-3-yl]acetate
CID 158838728

Frequently Asked Questions

What is the IUPAC name of diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine?
The IUPAC name of diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine (CID 158053508) is diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine.
What is the SMILES notation for diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine?
The canonical SMILES for diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine is C.C.CI.CI.CNC.CO.Cc1cccc2[nH]cc(CC#N)c12.Cc1cccc2[nH]cc(CN(C)C)c12.Cc1cccc2[nH]ccc12.Cc1cccc2c1c(CC#N)cn2C.Cc1cccc2c1c(CC(=O)O)cn2C.ICI.
What is the InChIKey of diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine?
The InChIKey is FJTMTQRIGQSYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H12N2.C12H13NO2.C11H10N2.C9H9N.C2H7N.CH2I2.2CH3I.CH4O.2CH4/c1-9-5-4-6-11-12(9)10(7-13-11)8-14(2)3;1-9-4-3-5-11-12(9)10(6-7-13)8-14(11)2;1-8-4-3-5-10-12(8)9(6-11(14)15)7-13(10)2;1-8-3-2-4-10-11(8)9(5-6-12)7-13-10;1-7-3-2-4-9-8(7)5-6-10-9;1-3-2;2-1-3;3*1-2;;/h4-7,13H,8H2,1-3H3;3-5,8H,6H2,1-2H3;3-5,7H,6H2,1-2H3,(H,14,15);2-4,7,13H,5H2,1H3;2-6,10H,1H3;3H,1-2H3;1H2;2*1H3;2H,1H3;2*1H4.
What are the key properties of diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine?
diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine has a molecular weight of 1538.08 g/mol, XLogP of 16.86, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethane;2-(1,4-dimethylindol-3-yl)acetic acid;2-(1,4-dimethylindol-3-yl)acetonitrile;N,N-dimethyl-1-(4-methyl-1H-indol-3-yl)methanamine;iodomethane;methane;methanol;4-methyl-1H-indole;2-(4-methyl-1H-indol-3-yl)acetonitrile;N-methylmethanamine is sourced from PubChem (CID 158053508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).