(E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine

C10H22N2O — CID 82951387

IUPAC(E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine
SMILESCOCCN(C/C=C/CN)C(C)C
InChIInChI=1S/C10H22N2O/c1-10(2)12(8-9-13-3)7-5-4-6-11/h4-5,10H,6-9,11H2,1-3H3/b5-4+
InChIKeyXKSHJFCFHOIWMC-SNAWJCMRSA-N
MW186.30 g/mol
LogP0.86
Rot. Bonds7

About (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine

(E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine (PubChem CID 82951387) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine
PubChem CID82951387
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine
SMILESCOCCN(C/C=C/CN)C(C)C
InChIInChI=1S/C10H22N2O/c1-10(2)12(8-9-13-3)7-5-4-6-11/h4-5,10H,6-9,11H2,1-3H3/b5-4+
InChIKeyXKSHJFCFHOIWMC-SNAWJCMRSA-N
XLogP0.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.86
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 (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine (CID 82951387) is (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine is COCCN(C/C=C/CN)C(C)C.
What is the InChIKey of (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine?
The InChIKey is XKSHJFCFHOIWMC-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2)12(8-9-13-3)7-5-4-6-11/h4-5,10H,6-9,11H2,1-3H3/b5-4+.
What are the key properties of (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine?
(E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-methoxyethyl)-N'-propan-2-ylbut-2-ene-1,4-diamine is sourced from PubChem (CID 82951387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).