1,2-diethyl-10H-phenoxazine-3-carboximidamide

C17H19N3O — CID 69349534

IUPAC1,2-diethyl-10H-phenoxazine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(c(CC)c1CC)Nc1ccccc1O2
InChIInChI=1S/C17H19N3O/c1-3-10-11(4-2)16-15(9-12(10)17(18)19)21-14-8-6-5-7-13(14)20-16/h5-9,20H,3-4H2,1-2H3,(H3,18,19)
InChIKeyBETGHMUZCYDNTH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.94
Rot. Bonds3

About 1,2-diethyl-10H-phenoxazine-3-carboximidamide

1,2-diethyl-10H-phenoxazine-3-carboximidamide (PubChem CID 69349534) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,2-diethyl-10H-phenoxazine-3-carboximidamide.

Molecular Properties

Compound Name1,2-diethyl-10H-phenoxazine-3-carboximidamide
PubChem CID69349534
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1,2-diethyl-10H-phenoxazine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(c(CC)c1CC)Nc1ccccc1O2
InChIInChI=1S/C17H19N3O/c1-3-10-11(4-2)16-15(9-12(10)17(18)19)21-14-8-6-5-7-13(14)20-16/h5-9,20H,3-4H2,1-2H3,(H3,18,19)
InChIKeyBETGHMUZCYDNTH-UHFFFAOYSA-N
XLogP3.94
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,2-diethyl-10H-phenoxazine-3-carboximidamide?
The IUPAC name of 1,2-diethyl-10H-phenoxazine-3-carboximidamide (CID 69349534) is 1,2-diethyl-10H-phenoxazine-3-carboximidamide.
What is the SMILES notation for 1,2-diethyl-10H-phenoxazine-3-carboximidamide?
The canonical SMILES for 1,2-diethyl-10H-phenoxazine-3-carboximidamide is [H]/N=C(\N)c1cc2c(c(CC)c1CC)Nc1ccccc1O2.
What is the InChIKey of 1,2-diethyl-10H-phenoxazine-3-carboximidamide?
The InChIKey is BETGHMUZCYDNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-10-11(4-2)16-15(9-12(10)17(18)19)21-14-8-6-5-7-13(14)20-16/h5-9,20H,3-4H2,1-2H3,(H3,18,19).
What are the key properties of 1,2-diethyl-10H-phenoxazine-3-carboximidamide?
1,2-diethyl-10H-phenoxazine-3-carboximidamide has a molecular weight of 281.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-10H-phenoxazine-3-carboximidamide is sourced from PubChem (CID 69349534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).