2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine

C11H20NP — CID 138466034

IUPAC2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCN(C)C1CC=CC=C1P(C)C
InChIInChI=1S/C11H20NP/c1-5-12(2)10-8-6-7-9-11(10)13(3)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyTYBGWUWCEWBZJZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.89
Rot. Bonds3

About 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine

2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 138466034) has the molecular formula C11H20NP and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID138466034
Molecular FormulaC11H20NP
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine
SMILESCCN(C)C1CC=CC=C1P(C)C
InChIInChI=1S/C11H20NP/c1-5-12(2)10-8-6-7-9-11(10)13(3)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyTYBGWUWCEWBZJZ-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine (CID 138466034) is 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine is CCN(C)C1CC=CC=C1P(C)C.
What is the InChIKey of 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is TYBGWUWCEWBZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NP/c1-5-12(2)10-8-6-7-9-11(10)13(3)4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine?
2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 197.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphanyl-N-ethyl-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 138466034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).