2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine

C12H17N3 — CID 90779109

IUPAC2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine
SMILESCC/C(=N\C)c1cc2c([nH]1)=CCC(N)C=2
InChIInChI=1S/C12H17N3/c1-3-10(14-2)12-7-8-6-9(13)4-5-11(8)15-12/h5-7,9,15H,3-4,13H2,1-2H3/b14-10+
InChIKeyVVOALQUEMZKINH-GXDHUFHOSA-N
MW203.29 g/mol
LogP0.14
Rot. Bonds2

About 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine

2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine (PubChem CID 90779109) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine.

Molecular Properties

Compound Name2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine
PubChem CID90779109
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine
SMILESCC/C(=N\C)c1cc2c([nH]1)=CCC(N)C=2
InChIInChI=1S/C12H17N3/c1-3-10(14-2)12-7-8-6-9(13)4-5-11(8)15-12/h5-7,9,15H,3-4,13H2,1-2H3/b14-10+
InChIKeyVVOALQUEMZKINH-GXDHUFHOSA-N
XLogP0.14
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine?
The IUPAC name of 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine (CID 90779109) is 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine.
What is the SMILES notation for 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine?
The canonical SMILES for 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine is CC/C(=N\C)c1cc2c([nH]1)=CCC(N)C=2.
What is the InChIKey of 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine?
The InChIKey is VVOALQUEMZKINH-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-10(14-2)12-7-8-6-9(13)4-5-11(8)15-12/h5-7,9,15H,3-4,13H2,1-2H3/b14-10+.
What are the key properties of 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine?
2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-ethyl-N-methylcarbonimidoyl)-5,6-dihydro-1H-indol-5-amine is sourced from PubChem (CID 90779109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).