N-[ethyl(phenyl)arsanyl]-N-methylmethanamine

C10H16AsN — CID 3045784

IUPACN-[ethyl(phenyl)arsanyl]-N-methylmethanamine
SMILESCC[As](c1ccccc1)N(C)C
InChIInChI=1S/C10H16AsN/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyPTKPOWIPOACTQE-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.47
Rot. Bonds3

About N-[ethyl(phenyl)arsanyl]-N-methylmethanamine

N-[ethyl(phenyl)arsanyl]-N-methylmethanamine (PubChem CID 3045784) has the molecular formula C10H16AsN and a molecular weight of 225.17 g/mol. Its IUPAC name is N-[ethyl(phenyl)arsanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[ethyl(phenyl)arsanyl]-N-methylmethanamine
PubChem CID3045784
Molecular FormulaC10H16AsN
Molecular Weight225.17 g/mol
Exact Mass225.05
IUPAC NameN-[ethyl(phenyl)arsanyl]-N-methylmethanamine
SMILESCC[As](c1ccccc1)N(C)C
InChIInChI=1S/C10H16AsN/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyPTKPOWIPOACTQE-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)arsanyl]-N-methylmethanamine?
The IUPAC name of N-[ethyl(phenyl)arsanyl]-N-methylmethanamine (CID 3045784) is N-[ethyl(phenyl)arsanyl]-N-methylmethanamine.
What is the SMILES notation for N-[ethyl(phenyl)arsanyl]-N-methylmethanamine?
The canonical SMILES for N-[ethyl(phenyl)arsanyl]-N-methylmethanamine is CC[As](c1ccccc1)N(C)C.
What is the InChIKey of N-[ethyl(phenyl)arsanyl]-N-methylmethanamine?
The InChIKey is PTKPOWIPOACTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16AsN/c1-4-11(12(2)3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3.
What are the key properties of N-[ethyl(phenyl)arsanyl]-N-methylmethanamine?
N-[ethyl(phenyl)arsanyl]-N-methylmethanamine has a molecular weight of 225.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)arsanyl]-N-methylmethanamine is sourced from PubChem (CID 3045784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).