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

C18H24N2O4 — CID 44630228

IUPACN',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid
SMILESCCN(CC)CCNc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C16H22N2.C2H2O4/c1-3-18(4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16;3-1(4)2(5)6/h5-11,17H,3-4,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMNUSPWMHIHYMKM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.75
Rot. Bonds6

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

N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid (PubChem CID 44630228) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid.

Molecular Properties

Compound NameN',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid
PubChem CID44630228
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid
SMILESCCN(CC)CCNc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C16H22N2.C2H2O4/c1-3-18(4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16;3-1(4)2(5)6/h5-11,17H,3-4,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMNUSPWMHIHYMKM-UHFFFAOYSA-N
XLogP2.75
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid?
The IUPAC name of N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid (CID 44630228) is N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid.
What is the SMILES notation for N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid?
The canonical SMILES for N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid is CCN(CC)CCNc1cccc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid?
The InChIKey is MNUSPWMHIHYMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.C2H2O4/c1-3-18(4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16;3-1(4)2(5)6/h5-11,17H,3-4,12-13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid?
N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid has a molecular weight of 332.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid is sourced from PubChem (CID 44630228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).