N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine

C18H28N2P2 — CID 122397570

IUPACN-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine
SMILESCCN(CC)Pc1cccc2cccc(PN(CC)CC)c12
InChIInChI=1S/C18H28N2P2/c1-5-19(6-2)21-16-13-9-11-15-12-10-14-17(18(15)16)22-20(7-3)8-4/h9-14,21-22H,5-8H2,1-4H3
InChIKeySBZWAPXQYCSSMR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.96
Rot. Bonds8

About N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine

N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine (PubChem CID 122397570) has the molecular formula C18H28N2P2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine.

Molecular Properties

Compound NameN-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine
PubChem CID122397570
Molecular FormulaC18H28N2P2
Molecular Weight334.38 g/mol
Exact Mass334.17
IUPAC NameN-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine
SMILESCCN(CC)Pc1cccc2cccc(PN(CC)CC)c12
InChIInChI=1S/C18H28N2P2/c1-5-19(6-2)21-16-13-9-11-15-12-10-14-17(18(15)16)22-20(7-3)8-4/h9-14,21-22H,5-8H2,1-4H3
InChIKeySBZWAPXQYCSSMR-UHFFFAOYSA-N
XLogP3.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine?
The IUPAC name of N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine (CID 122397570) is N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine.
What is the SMILES notation for N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine?
The canonical SMILES for N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine is CCN(CC)Pc1cccc2cccc(PN(CC)CC)c12.
What is the InChIKey of N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine?
The InChIKey is SBZWAPXQYCSSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2P2/c1-5-19(6-2)21-16-13-9-11-15-12-10-14-17(18(15)16)22-20(7-3)8-4/h9-14,21-22H,5-8H2,1-4H3.
What are the key properties of N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine?
N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine has a molecular weight of 334.38 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine is sourced from PubChem (CID 122397570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).