N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine

C12H28N2O2 — CID 81068399

IUPACN'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
SMILESCCOCCN(C)CCCCNCCOC
InChIInChI=1S/C12H28N2O2/c1-4-16-12-10-14(2)9-6-5-7-13-8-11-15-3/h13H,4-12H2,1-3H3
InChIKeyPBMSGLYKULIUMG-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.97
Rot. Bonds12

About N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine

N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine (PubChem CID 81068399) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
PubChem CID81068399
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
SMILESCCOCCN(C)CCCCNCCOC
InChIInChI=1S/C12H28N2O2/c1-4-16-12-10-14(2)9-6-5-7-13-8-11-15-3/h13H,4-12H2,1-3H3
InChIKeyPBMSGLYKULIUMG-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 81068457
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 62562216
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81055191
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
N'-(2-ethoxyethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 63692336

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine (CID 81068399) is N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine is CCOCCN(C)CCCCNCCOC.
What is the InChIKey of N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
The InChIKey is PBMSGLYKULIUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-16-12-10-14(2)9-6-5-7-13-8-11-15-3/h13H,4-12H2,1-3H3.
What are the key properties of N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.97, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 81068399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).