1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine

C10H16N2 — CID 59869158

IUPAC1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine
SMILES[H]/N=C1\CC2=C(CCCC2)N1CC
InChIInChI=1S/C10H16N2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11/h11H,2-7H2,1H3/b11-10+
InChIKeyJHBYXUYYZZCDOV-ZHACJKMWSA-N
MW164.25 g/mol
LogP2.52
Rot. Bonds1

About 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine

1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine (PubChem CID 59869158) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine.

Molecular Properties

Compound Name1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine
PubChem CID59869158
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine
SMILES[H]/N=C1\CC2=C(CCCC2)N1CC
InChIInChI=1S/C10H16N2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11/h11H,2-7H2,1H3/b11-10+
InChIKeyJHBYXUYYZZCDOV-ZHACJKMWSA-N
XLogP2.52
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine?
The IUPAC name of 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine (CID 59869158) is 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine.
What is the SMILES notation for 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine?
The canonical SMILES for 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine is [H]/N=C1\CC2=C(CCCC2)N1CC.
What is the InChIKey of 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine?
The InChIKey is JHBYXUYYZZCDOV-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-12-9-6-4-3-5-8(9)7-10(12)11/h11H,2-7H2,1H3/b11-10+.
What are the key properties of 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine?
1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine has a molecular weight of 164.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5,6,7-tetrahydro-3H-indol-2-imine is sourced from PubChem (CID 59869158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).