N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine

C11H13N3 — CID 136951952

IUPACN-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13N3/c1-14(2)12-8-10-7-9-5-3-4-6-11(9)13-10/h3-8,13H,1-2H3/b12-8+
InChIKeyVWINJKQLZYHKFC-XYOKQWHBSA-N
MW187.25 g/mol
LogP2.06
Rot. Bonds2

About N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine

N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine (PubChem CID 136951952) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
PubChem CID136951952
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13N3/c1-14(2)12-8-10-7-9-5-3-4-6-11(9)13-10/h3-8,13H,1-2H3/b12-8+
InChIKeyVWINJKQLZYHKFC-XYOKQWHBSA-N
XLogP2.06
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-2-ylmethylideneamino)-N-methylmethanamine
CID 137238408
1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane
CID 161223571
1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
CID 165076117
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 143924426
2-[(E)-2-(1H-indol-2-yl)ethenyl]-1-methylquinolin-1-ium iodide
CID 118736720
(2R)-2-hydroxy-N-[(E)-1H-indol-2-ylmethylideneamino]-2-phenylacetamide
CID 135832723
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
2-(2-nitroprop-1-enyl)-1H-indole
CID 140830257
2-[(E)-dec-1-enyl]-1H-indole
CID 118043504
2-(1H-indol-2-yl)-3-methylbutanenitrile
CID 15013805
2-methyl-1H-indole;hydrofluoride
CID 163912177

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine (CID 136951952) is N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine is CN(C)/N=C/c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine?
The InChIKey is VWINJKQLZYHKFC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13N3/c1-14(2)12-8-10-7-9-5-3-4-6-11(9)13-10/h3-8,13H,1-2H3/b12-8+.
What are the key properties of N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine?
N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine has a molecular weight of 187.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 136951952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).