N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine

C18H27N2P — CID 86019861

IUPACN-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(c1cccc2ccccc12)N(CC)CC
InChIInChI=1S/C18H27N2P/c1-5-19(6-2)21(20(7-3)8-4)18-15-11-13-16-12-9-10-14-17(16)18/h9-15H,5-8H2,1-4H3
InChIKeyBUPBWJJDJKBMTM-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.46
Rot. Bonds7

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

N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine (PubChem CID 86019861) has the molecular formula C18H27N2P and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine
PubChem CID86019861
Molecular FormulaC18H27N2P
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC NameN-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(c1cccc2ccccc12)N(CC)CC
InChIInChI=1S/C18H27N2P/c1-5-19(6-2)21(20(7-3)8-4)18-15-11-13-16-12-9-10-14-17(16)18/h9-15H,5-8H2,1-4H3
InChIKeyBUPBWJJDJKBMTM-UHFFFAOYSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.46
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-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine (CID 86019861) is N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine is CCN(CC)P(c1cccc2ccccc12)N(CC)CC.
What is the InChIKey of N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine?
The InChIKey is BUPBWJJDJKBMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N2P/c1-5-19(6-2)21(20(7-3)8-4)18-15-11-13-16-12-9-10-14-17(16)18/h9-15H,5-8H2,1-4H3.
What are the key properties of N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine?
N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine has a molecular weight of 302.40 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(naphthalen-1-yl)phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 86019861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).