(Z)-3-methoxyoct-4-ene-1,8-diamine

C9H20N2O — CID 178014454

IUPAC(Z)-3-methoxyoct-4-ene-1,8-diamine
SMILESCOC(/C=C\CCCN)CCN
InChIInChI=1S/C9H20N2O/c1-12-9(6-8-11)5-3-2-4-7-10/h3,5,9H,2,4,6-8,10-11H2,1H3/b5-3-
InChIKeyCXJLILQTJPDIHY-HYXAFXHYSA-N
MW172.27 g/mol
LogP0.65
Rot. Bonds7

About (Z)-3-methoxyoct-4-ene-1,8-diamine

(Z)-3-methoxyoct-4-ene-1,8-diamine (PubChem CID 178014454) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (Z)-3-methoxyoct-4-ene-1,8-diamine.

Molecular Properties

Compound Name(Z)-3-methoxyoct-4-ene-1,8-diamine
PubChem CID178014454
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(Z)-3-methoxyoct-4-ene-1,8-diamine
SMILESCOC(/C=C\CCCN)CCN
InChIInChI=1S/C9H20N2O/c1-12-9(6-8-11)5-3-2-4-7-10/h3,5,9H,2,4,6-8,10-11H2,1H3/b5-3-
InChIKeyCXJLILQTJPDIHY-HYXAFXHYSA-N
XLogP0.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxyoct-4-ene-1,8-diamine?
The IUPAC name of (Z)-3-methoxyoct-4-ene-1,8-diamine (CID 178014454) is (Z)-3-methoxyoct-4-ene-1,8-diamine.
What is the SMILES notation for (Z)-3-methoxyoct-4-ene-1,8-diamine?
The canonical SMILES for (Z)-3-methoxyoct-4-ene-1,8-diamine is COC(/C=C\CCCN)CCN.
What is the InChIKey of (Z)-3-methoxyoct-4-ene-1,8-diamine?
The InChIKey is CXJLILQTJPDIHY-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-9(6-8-11)5-3-2-4-7-10/h3,5,9H,2,4,6-8,10-11H2,1H3/b5-3-.
What are the key properties of (Z)-3-methoxyoct-4-ene-1,8-diamine?
(Z)-3-methoxyoct-4-ene-1,8-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxyoct-4-ene-1,8-diamine is sourced from PubChem (CID 178014454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).