N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid

C18H30N2O5 — CID 67634798

IUPACN'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid
SMILESCOc1ccccc1CCN(C)CCCCCCN.O=C(O)C(=O)O
InChIInChI=1S/C16H28N2O.C2H2O4/c1-18(13-8-4-3-7-12-17)14-11-15-9-5-6-10-16(15)19-2;3-1(4)2(5)6/h5-6,9-10H,3-4,7-8,11-14,17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXGOQVUKJPGHQJW-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.84
Rot. Bonds10

About N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid

N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid (PubChem CID 67634798) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid
PubChem CID67634798
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC NameN'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid
SMILESCOc1ccccc1CCN(C)CCCCCCN.O=C(O)C(=O)O
InChIInChI=1S/C16H28N2O.C2H2O4/c1-18(13-8-4-3-7-12-17)14-11-15-9-5-6-10-16(15)19-2;3-1(4)2(5)6/h5-6,9-10H,3-4,7-8,11-14,17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXGOQVUKJPGHQJW-UHFFFAOYSA-N
XLogP1.84
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
2-[2-(2-methoxyphenyl)ethyl-methylamino]ethanethiol
CID 115224424
(E)-4-[2-(2-methoxyphenyl)ethyl-methylamino]but-2-enoic acid
CID 115237375
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251757
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
CID 141068958
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid?
The IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid (CID 67634798) is N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid?
The canonical SMILES for N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid is COc1ccccc1CCN(C)CCCCCCN.O=C(O)C(=O)O.
What is the InChIKey of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid?
The InChIKey is XGOQVUKJPGHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.C2H2O4/c1-18(13-8-4-3-7-12-17)14-11-15-9-5-6-10-16(15)19-2;3-1(4)2(5)6/h5-6,9-10H,3-4,7-8,11-14,17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid?
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid has a molecular weight of 354.45 g/mol, XLogP of 1.84, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid is sourced from PubChem (CID 67634798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).