1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide

C12H19N3 — CID 137439433

IUPAC1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide
SMILES[H]/N=C(\N)C1=CC2CCCN(CC)C2C=C1
InChIInChI=1S/C12H19N3/c1-2-15-7-3-4-9-8-10(12(13)14)5-6-11(9)15/h5-6,8-9,11H,2-4,7H2,1H3,(H3,13,14)
InChIKeyRLIOMOASFNUMJM-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.52
Rot. Bonds2

About 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide

1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide (PubChem CID 137439433) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide.

Molecular Properties

Compound Name1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide
PubChem CID137439433
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide
SMILES[H]/N=C(\N)C1=CC2CCCN(CC)C2C=C1
InChIInChI=1S/C12H19N3/c1-2-15-7-3-4-9-8-10(12(13)14)5-6-11(9)15/h5-6,8-9,11H,2-4,7H2,1H3,(H3,13,14)
InChIKeyRLIOMOASFNUMJM-UHFFFAOYSA-N
XLogP1.52
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide?
The IUPAC name of 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide (CID 137439433) is 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide.
What is the SMILES notation for 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide?
The canonical SMILES for 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide is [H]/N=C(\N)C1=CC2CCCN(CC)C2C=C1.
What is the InChIKey of 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide?
The InChIKey is RLIOMOASFNUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-7-3-4-9-8-10(12(13)14)5-6-11(9)15/h5-6,8-9,11H,2-4,7H2,1H3,(H3,13,14).
What are the key properties of 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide?
1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide has a molecular weight of 205.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide is sourced from PubChem (CID 137439433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).