N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

C12H28N2O2 — CID 81055191

IUPACN-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(C)CCOC(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2)16-11-9-14(3)8-5-6-13-7-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyDAONOSGNXNQTFX-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.97
Rot. Bonds11

About N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (PubChem CID 81055191) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
PubChem CID81055191
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(C)CCOC(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2)16-11-9-14(3)8-5-6-13-7-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyDAONOSGNXNQTFX-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 81068399
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
CID 81068386
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
CID 115709397
N'-ethyl-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62569840
N-(2-methoxyethyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65486266
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 55126959
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (CID 81055191) is N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is COCCNCCCN(C)CCOC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The InChIKey is DAONOSGNXNQTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2)16-11-9-14(3)8-5-6-13-7-10-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is sourced from PubChem (CID 81055191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).