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

C11H24N2O2 — CID 77110588

IUPACN'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine
SMILESCOCCN(CC=CCN)C(C)COC
InChIInChI=1S/C11H24N2O2/c1-11(10-15-3)13(8-9-14-2)7-5-4-6-12/h4-5,11H,6-10,12H2,1-3H3
InChIKeyFYMFAKYRBCKWEM-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.48
Rot. Bonds9

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

N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine (PubChem CID 77110588) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine
PubChem CID77110588
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine
SMILESCOCCN(CC=CCN)C(C)COC
InChIInChI=1S/C11H24N2O2/c1-11(10-15-3)13(8-9-14-2)7-5-4-6-12/h4-5,11H,6-10,12H2,1-3H3
InChIKeyFYMFAKYRBCKWEM-UHFFFAOYSA-N
XLogP0.48
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine (CID 77110588) is N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine is COCCN(CC=CCN)C(C)COC.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
The InChIKey is FYMFAKYRBCKWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(10-15-3)13(8-9-14-2)7-5-4-6-12/h4-5,11H,6-10,12H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).