methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide

C13H15N3 — CID 117043501

IUPACmethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
SMILESCc1[nH]c2ccccc2c1CCN(C)C#N
InChIInChI=1S/C13H15N3/c1-10-11(7-8-16(2)9-14)12-5-3-4-6-13(12)15-10/h3-6,15H,7-8H2,1-2H3
InChIKeyVLWPGEFZFVXBLG-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.43
Rot. Bonds3

About methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide

methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide (PubChem CID 117043501) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide.

Molecular Properties

Compound Namemethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
PubChem CID117043501
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Namemethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
SMILESCc1[nH]c2ccccc2c1CCN(C)C#N
InChIInChI=1S/C13H15N3/c1-10-11(7-8-16(2)9-14)12-5-3-4-6-13(12)15-10/h3-6,15H,7-8H2,1-2H3
InChIKeyVLWPGEFZFVXBLG-UHFFFAOYSA-N
XLogP2.43
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butanenitrile
CID 115232046
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-ethyl-2-methyl-1H-indole;propane
CID 156727003

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide?
The IUPAC name of methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide (CID 117043501) is methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide.
What is the SMILES notation for methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide?
The canonical SMILES for methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide is Cc1[nH]c2ccccc2c1CCN(C)C#N.
What is the InChIKey of methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide?
The InChIKey is VLWPGEFZFVXBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-11(7-8-16(2)9-14)12-5-3-4-6-13(12)15-10/h3-6,15H,7-8H2,1-2H3.
What are the key properties of methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide?
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide has a molecular weight of 213.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide is sourced from PubChem (CID 117043501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).