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

C10H22N2O — CID 77110688

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine
SMILESCCN(CC=CCN)C(C)COC
InChIInChI=1S/C10H22N2O/c1-4-12(8-6-5-7-11)10(2)9-13-3/h5-6,10H,4,7-9,11H2,1-3H3
InChIKeySOAZBOREIWYWBP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.86
Rot. Bonds7

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

N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine (PubChem CID 77110688) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine
PubChem CID77110688
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine
SMILESCCN(CC=CCN)C(C)COC
InChIInChI=1S/C10H22N2O/c1-4-12(8-6-5-7-11)10(2)9-13-3/h5-6,10H,4,7-9,11H2,1-3H3
InChIKeySOAZBOREIWYWBP-UHFFFAOYSA-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 N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine (CID 77110688) is N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine is CCN(CC=CCN)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
The InChIKey is SOAZBOREIWYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-12(8-6-5-7-11)10(2)9-13-3/h5-6,10H,4,7-9,11H2,1-3H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)but-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 N'-ethyl-N'-(1-methoxypropan-2-yl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).