2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine

C11H19N2OP — CID 67208578

IUPAC2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
SMILESCPC1=C(N)C=CC(N2CCOCC2)C1
InChIInChI=1S/C11H19N2OP/c1-15-11-8-9(2-3-10(11)12)13-4-6-14-7-5-13/h2-3,9,15H,4-8,12H2,1H3
InChIKeyAJDASEDLXBNDQH-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.13
Rot. Bonds2

About 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine

2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine (PubChem CID 67208578) has the molecular formula C11H19N2OP and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
PubChem CID67208578
Molecular FormulaC11H19N2OP
Molecular Weight226.26 g/mol
Exact Mass226.12
IUPAC Name2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
SMILESCPC1=C(N)C=CC(N2CCOCC2)C1
InChIInChI=1S/C11H19N2OP/c1-15-11-8-9(2-3-10(11)12)13-4-6-14-7-5-13/h2-3,9,15H,4-8,12H2,1H3
InChIKeyAJDASEDLXBNDQH-UHFFFAOYSA-N
XLogP1.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine (CID 67208578) is 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine is CPC1=C(N)C=CC(N2CCOCC2)C1.
What is the InChIKey of 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is AJDASEDLXBNDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2OP/c1-15-11-8-9(2-3-10(11)12)13-4-6-14-7-5-13/h2-3,9,15H,4-8,12H2,1H3.
What are the key properties of 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 226.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 67208578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).