4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine

C8H16N2O — CID 153422495

IUPAC4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
SMILESC=C(C=CCN)NCCOC
InChIInChI=1S/C8H16N2O/c1-8(4-3-5-9)10-6-7-11-2/h3-4,10H,1,5-7,9H2,2H3
InChIKeyZNZGESUBIQFPCW-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.25
Rot. Bonds6

About 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine

4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine (PubChem CID 153422495) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
PubChem CID153422495
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
SMILESC=C(C=CCN)NCCOC
InChIInChI=1S/C8H16N2O/c1-8(4-3-5-9)10-6-7-11-2/h3-4,10H,1,5-7,9H2,2H3
InChIKeyZNZGESUBIQFPCW-UHFFFAOYSA-N
XLogP0.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine (CID 153422495) is 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine is C=C(C=CCN)NCCOC.
What is the InChIKey of 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
The InChIKey is ZNZGESUBIQFPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(4-3-5-9)10-6-7-11-2/h3-4,10H,1,5-7,9H2,2H3.
What are the key properties of 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine has a molecular weight of 156.23 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine is sourced from PubChem (CID 153422495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).