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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Related Compounds

Butyl-ethyl-(3-naphthalen-1-yl-propyl)-amine
CID 14519855
(E)-N,N-dimethyl-3-(naphthalen-1-yl)but-2-en-1-amine
CID 44422407
N,N-diethyl-3-naphthalen-1-ylpropan-1-amine
CID 33237
N-[[8-[bis(diethylamino)phosphanyl]naphthalen-1-yl]-(diethylamino)phosphanyl]-N-ethylethanamine
CID 15316748
N-[dimethylamino-(2-phenylphenyl)phosphanyl]-N-methylmethanamine
CID 86010997
N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine
CID 86019861
N-[dimethylamino-[[dimethylamino-[8-[dimethylamino-[dimethylamino(methylamino)phosphanyl]imino-methyl-lambda5-phosphanyl]naphthalen-1-yl]-methyl-lambda5-phosphanylidene]amino]phosphanyl]methanamine
CID 87078255
N-[[di(propan-2-yl)amino]-naphthalen-1-ylphosphanyl]-N-propan-2-ylpropan-2-amine
CID 12118701
N,N-diisopropyl-1H-naphtho[1,8-bc]phosphet-1-amine
CID 12969346
N,N-diethyl3-(naphthalen-1-yl)prop-2-yn-1-amine
CID 14341492
N,N-diethyl-2-phosphatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaen-2-amine
CID 86260024
N-[8-(dimethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-methylmethanamine
CID 91263529

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).