(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol

C10H17NO — CID 89187826

IUPAC(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol
SMILESC=C(/C=C\C(=C/N)CC)CCO
InChIInChI=1S/C10H17NO/c1-3-10(8-11)5-4-9(2)6-7-12/h4-5,8,12H,2-3,6-7,11H2,1H3/b5-4-,10-8-
InChIKeyAQIMRXFPUXPQJL-BXPWTJTASA-N
MW167.25 g/mol
LogP1.73
Rot. Bonds5

About (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol

(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol (PubChem CID 89187826) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol.

Molecular Properties

Compound Name(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol
PubChem CID89187826
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol
SMILESC=C(/C=C\C(=C/N)CC)CCO
InChIInChI=1S/C10H17NO/c1-3-10(8-11)5-4-9(2)6-7-12/h4-5,8,12H,2-3,6-7,11H2,1H3/b5-4-,10-8-
InChIKeyAQIMRXFPUXPQJL-BXPWTJTASA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol?
The IUPAC name of (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol (CID 89187826) is (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol.
What is the SMILES notation for (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol?
The canonical SMILES for (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol is C=C(/C=C\C(=C/N)CC)CCO.
What is the InChIKey of (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol?
The InChIKey is AQIMRXFPUXPQJL-BXPWTJTASA-N. The full InChI is InChI=1S/C10H17NO/c1-3-10(8-11)5-4-9(2)6-7-12/h4-5,8,12H,2-3,6-7,11H2,1H3/b5-4-,10-8-.
What are the key properties of (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol?
(Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6Z)-6-(aminomethylidene)-3-methylideneoct-4-en-1-ol is sourced from PubChem (CID 89187826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).