N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid

C28H30N2O4 — CID 69493230

IUPACN,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid
SMILESCCN(CC)CCN(c1cccc2ccccc12)c1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C26H28N2.C2H2O4/c1-3-27(4-2)19-20-28(25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26;3-1(4)2(5)6/h5-18H,3-4,19-20H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPWMNFCMTNFNJHT-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.63
Rot. Bonds7

About N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid

N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid (PubChem CID 69493230) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid.

Molecular Properties

Compound NameN,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid
PubChem CID69493230
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid
SMILESCCN(CC)CCN(c1cccc2ccccc12)c1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C26H28N2.C2H2O4/c1-3-27(4-2)19-20-28(25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26;3-1(4)2(5)6/h5-18H,3-4,19-20H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPWMNFCMTNFNJHT-UHFFFAOYSA-N
XLogP5.63
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
N-ethyl-2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 110881176
(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
CID 125045111
6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
2-amino-N-ethyl-2-methyl-N-naphthalen-1-ylpropanamide
CID 61265760
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
chloro(naphthalen-1-yl)carbamic acid;hydrochloride
CID 88734221

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid?
The IUPAC name of N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid (CID 69493230) is N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid.
What is the SMILES notation for N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid?
The canonical SMILES for N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid is CCN(CC)CCN(c1cccc2ccccc12)c1cccc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid?
The InChIKey is PWMNFCMTNFNJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2.C2H2O4/c1-3-27(4-2)19-20-28(25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26;3-1(4)2(5)6/h5-18H,3-4,19-20H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid?
N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid has a molecular weight of 458.56 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N',N'-dinaphthalen-1-ylethane-1,2-diamine;oxalic acid is sourced from PubChem (CID 69493230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).