(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol

C15H23NO — CID 126583250

IUPAC(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
SMILESC=C/C=C\C(C(=C)C)=C(O)\C=C\CNC(C)C
InChIInChI=1S/C15H23NO/c1-6-7-9-14(12(2)3)15(17)10-8-11-16-13(4)5/h6-10,13,16-17H,1-2,11H2,3-5H3/b9-7-,10-8+,15-14+
InChIKeyMSWOCFJEQZAACU-MXJAXNGNSA-N
MW233.35 g/mol
LogP3.67
Rot. Bonds7

About (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol

(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol (PubChem CID 126583250) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol.

Molecular Properties

Compound Name(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
PubChem CID126583250
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
SMILESC=C/C=C\C(C(=C)C)=C(O)\C=C\CNC(C)C
InChIInChI=1S/C15H23NO/c1-6-7-9-14(12(2)3)15(17)10-8-11-16-13(4)5/h6-10,13,16-17H,1-2,11H2,3-5H3/b9-7-,10-8+,15-14+
InChIKeyMSWOCFJEQZAACU-MXJAXNGNSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol?
The IUPAC name of (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol (CID 126583250) is (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol.
What is the SMILES notation for (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol?
The canonical SMILES for (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol is C=C/C=C\C(C(=C)C)=C(O)\C=C\CNC(C)C.
What is the InChIKey of (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol?
The InChIKey is MSWOCFJEQZAACU-MXJAXNGNSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-7-9-14(12(2)3)15(17)10-8-11-16-13(4)5/h6-10,13,16-17H,1-2,11H2,3-5H3/b9-7-,10-8+,15-14+.
What are the key properties of (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol?
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol has a molecular weight of 233.35 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol is sourced from PubChem (CID 126583250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).