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

C11H24N2O — CID 77110540

IUPACN'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
SMILESCCC(C)N(CC=CCN)CCOC
InChIInChI=1S/C11H24N2O/c1-4-11(2)13(9-10-14-3)8-6-5-7-12/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyJGROVWRJRODVAE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.25
Rot. Bonds8

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

N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine (PubChem CID 77110540) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
PubChem CID77110540
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
SMILESCCC(C)N(CC=CCN)CCOC
InChIInChI=1S/C11H24N2O/c1-4-11(2)13(9-10-14-3)8-6-5-7-12/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyJGROVWRJRODVAE-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
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'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine (CID 77110540) is N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine is CCC(C)N(CC=CCN)CCOC.
What is the InChIKey of N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
The InChIKey is JGROVWRJRODVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-11(2)13(9-10-14-3)8-6-5-7-12/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine?
N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).