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

C8H16N2O — CID 139390286

IUPAC(2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
SMILESC=C(/C=C\CN)NCCOC
InChIInChI=1S/C8H16N2O/c1-8(4-3-5-9)10-6-7-11-2/h3-4,10H,1,5-7,9H2,2H3/b4-3-
InChIKeyZNZGESUBIQFPCW-ARJAWSKDSA-N
MW156.23 g/mol
LogP0.25
Rot. Bonds6

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

(2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine (PubChem CID 139390286) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
PubChem CID139390286
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
SMILESC=C(/C=C\CN)NCCOC
InChIInChI=1S/C8H16N2O/c1-8(4-3-5-9)10-6-7-11-2/h3-4,10H,1,5-7,9H2,2H3/b4-3-
InChIKeyZNZGESUBIQFPCW-ARJAWSKDSA-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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Related Compounds

N-[(3Z,5Z)-6-fluoro-5-[2-methoxyethyl(methyl)amino]hexa-1,3,5-trien-2-yl]formamide
CID 164130204
N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine
CID 170589843
N-(2-methoxy-1-methyl-ethyl)-2,5-diaminopyridine
CID 67535953
(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine
CID 88690408
(2Z,4E,6E)-7-morpholin-4-ylocta-2,4,6-trien-4-amine
CID 88899217
(3E,5E)-5-N-(2-methoxyethyl)-2-methylhepta-1,3,5-triene-3,5-diamine
CID 88899433
(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905153
(1E,3Z)-5-morpholin-4-ylhexa-1,3,5-triene-1,2-diamine
CID 88943444
(2E,4E)-2-N-(2-propan-2-yloxypropyl)hepta-2,4,6-triene-2,5-diamine
CID 89073971
(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 89121450
(2E,4E)-2-N-[(2R)-2-methoxypropyl]-2-N-methylhepta-2,4,6-triene-2,5-diamine
CID 89153975
2-[[(3E,5E)-7-amino-6-methoxyhepta-1,3,5-trien-3-yl]amino]ethanol
CID 90131568

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
The IUPAC name of (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine (CID 139390286) is (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine.
What is the SMILES notation for (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
The canonical SMILES for (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine is C=C(/C=C\CN)NCCOC.
What is the InChIKey of (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
The InChIKey is ZNZGESUBIQFPCW-ARJAWSKDSA-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/b4-3-.
What are the key properties of (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine?
(2Z)-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 (2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine is sourced from PubChem (CID 139390286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).