(Z)-6-methoxyoct-6-ene-1,5-diamine

C9H20N2O — CID 88874149

IUPAC(Z)-6-methoxyoct-6-ene-1,5-diamine
SMILESC/C=C(\OC)C(N)CCCCN
InChIInChI=1S/C9H20N2O/c1-3-9(12-2)8(11)6-4-5-7-10/h3,8H,4-7,10-11H2,1-2H3/b9-3-
InChIKeyBJFSBQWHOADRCC-OQFOIZHKSA-N
MW172.27 g/mol
LogP0.99
Rot. Bonds6

About (Z)-6-methoxyoct-6-ene-1,5-diamine

(Z)-6-methoxyoct-6-ene-1,5-diamine (PubChem CID 88874149) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (Z)-6-methoxyoct-6-ene-1,5-diamine.

Molecular Properties

Compound Name(Z)-6-methoxyoct-6-ene-1,5-diamine
PubChem CID88874149
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(Z)-6-methoxyoct-6-ene-1,5-diamine
SMILESC/C=C(\OC)C(N)CCCCN
InChIInChI=1S/C9H20N2O/c1-3-9(12-2)8(11)6-4-5-7-10/h3,8H,4-7,10-11H2,1-2H3/b9-3-
InChIKeyBJFSBQWHOADRCC-OQFOIZHKSA-N
XLogP0.99
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-methoxyoct-6-ene-1,5-diamine?
The IUPAC name of (Z)-6-methoxyoct-6-ene-1,5-diamine (CID 88874149) is (Z)-6-methoxyoct-6-ene-1,5-diamine.
What is the SMILES notation for (Z)-6-methoxyoct-6-ene-1,5-diamine?
The canonical SMILES for (Z)-6-methoxyoct-6-ene-1,5-diamine is C/C=C(\OC)C(N)CCCCN.
What is the InChIKey of (Z)-6-methoxyoct-6-ene-1,5-diamine?
The InChIKey is BJFSBQWHOADRCC-OQFOIZHKSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-9(12-2)8(11)6-4-5-7-10/h3,8H,4-7,10-11H2,1-2H3/b9-3-.
What are the key properties of (Z)-6-methoxyoct-6-ene-1,5-diamine?
(Z)-6-methoxyoct-6-ene-1,5-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methoxyoct-6-ene-1,5-diamine is sourced from PubChem (CID 88874149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).