N-[bis(diethylamino)arsanyl]-N-ethylethanamine

C12H30AsN3 — CID 12909455

IUPACN-[bis(diethylamino)arsanyl]-N-ethylethanamine
SMILESCCN(CC)[As](N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30AsN3/c1-7-14(8-2)13(15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3
InChIKeyYBESWXJWPOXPQD-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.00
Rot. Bonds9

About N-[bis(diethylamino)arsanyl]-N-ethylethanamine

N-[bis(diethylamino)arsanyl]-N-ethylethanamine (PubChem CID 12909455) has the molecular formula C12H30AsN3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[bis(diethylamino)arsanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[bis(diethylamino)arsanyl]-N-ethylethanamine
PubChem CID12909455
Molecular FormulaC12H30AsN3
Molecular Weight291.31 g/mol
Exact Mass291.17
IUPAC NameN-[bis(diethylamino)arsanyl]-N-ethylethanamine
SMILESCCN(CC)[As](N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30AsN3/c1-7-14(8-2)13(15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3
InChIKeyYBESWXJWPOXPQD-UHFFFAOYSA-N
XLogP2.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[bis(diethylamino)arsanyl]-N-ethylethanamine?
The IUPAC name of N-[bis(diethylamino)arsanyl]-N-ethylethanamine (CID 12909455) is N-[bis(diethylamino)arsanyl]-N-ethylethanamine.
What is the SMILES notation for N-[bis(diethylamino)arsanyl]-N-ethylethanamine?
The canonical SMILES for N-[bis(diethylamino)arsanyl]-N-ethylethanamine is CCN(CC)[As](N(CC)CC)N(CC)CC.
What is the InChIKey of N-[bis(diethylamino)arsanyl]-N-ethylethanamine?
The InChIKey is YBESWXJWPOXPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30AsN3/c1-7-14(8-2)13(15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3.
What are the key properties of N-[bis(diethylamino)arsanyl]-N-ethylethanamine?
N-[bis(diethylamino)arsanyl]-N-ethylethanamine has a molecular weight of 291.31 g/mol, XLogP of 2.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethylamino)arsanyl]-N-ethylethanamine is sourced from PubChem (CID 12909455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).