N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine

C18H34N3P — CID 3427434

IUPACN-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCCCP(=Nc1ccccc1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C18H34N3P/c1-6-11-17-22(20(7-2)8-3,21(9-4)10-5)19-18-15-13-12-14-16-18/h12-16H,6-11,17H2,1-5H3
InChIKeyYPAAGBVQVYRHSO-UHFFFAOYSA-N
MW323.46 g/mol
LogP5.83
Rot. Bonds10

About N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine

N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine (PubChem CID 3427434) has the molecular formula C18H34N3P and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
PubChem CID3427434
Molecular FormulaC18H34N3P
Molecular Weight323.46 g/mol
Exact Mass323.25
IUPAC NameN-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCCCP(=Nc1ccccc1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C18H34N3P/c1-6-11-17-22(20(7-2)8-3,21(9-4)10-5)19-18-15-13-12-14-16-18/h12-16H,6-11,17H2,1-5H3
InChIKeyYPAAGBVQVYRHSO-UHFFFAOYSA-N
XLogP5.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.83
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 N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine (CID 3427434) is N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine is CCCCP(=Nc1ccccc1)(N(CC)CC)N(CC)CC.
What is the InChIKey of N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The InChIKey is YPAAGBVQVYRHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N3P/c1-6-11-17-22(20(7-2)8-3,21(9-4)10-5)19-18-15-13-12-14-16-18/h12-16H,6-11,17H2,1-5H3.
What are the key properties of N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine has a molecular weight of 323.46 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl-(diethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 3427434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).