N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

C12H28N2O2 — CID 62462476

IUPACN',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CCNCC(C)C)CCOC
InChIInChI=1S/C12H28N2O2/c1-12(2)11-13-5-6-14(7-9-15-3)8-10-16-4/h12-13H,5-11H2,1-4H3
InChIKeyLYJOCYLJNBOMFD-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.83
Rot. Bonds11

About N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62462476) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62462476
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOCCN(CCNCC(C)C)CCOC
InChIInChI=1S/C12H28N2O2/c1-12(2)11-13-5-6-14(7-9-15-3)8-10-16-4/h12-13H,5-11H2,1-4H3
InChIKeyLYJOCYLJNBOMFD-UHFFFAOYSA-N
XLogP0.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.83
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',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
N',N'-bis(2-methoxyethyl)-N-prop-2-ynylethane-1,2-diamine
CID 62560104
N',N'-bis(2-methoxyethyl)-N-prop-2-enylethane-1,2-diamine
CID 62561595
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62574591
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 61418838
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 62462476) is N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is COCCN(CCNCC(C)C)CCOC.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LYJOCYLJNBOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2)11-13-5-6-14(7-9-15-3)8-10-16-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62462476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).