N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine

C11H24N2O — CID 77110449

IUPACN'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine
SMILESCOCCN(CC=CCN)CC(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)10-13(8-9-14-3)7-5-4-6-12/h4-5,11H,6-10,12H2,1-3H3
InChIKeyAFRJDWSKZBARME-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.11
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine

N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine (PubChem CID 77110449) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine
PubChem CID77110449
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine
SMILESCOCCN(CC=CCN)CC(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)10-13(8-9-14-3)7-5-4-6-12/h4-5,11H,6-10,12H2,1-3H3
InChIKeyAFRJDWSKZBARME-UHFFFAOYSA-N
XLogP1.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine (CID 77110449) is N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine is COCCN(CC=CCN)CC(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine?
The InChIKey is AFRJDWSKZBARME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2)10-13(8-9-14-3)7-5-4-6-12/h4-5,11H,6-10,12H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine?
N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).