(1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol

C9H13NO — CID 59875832

IUPAC(1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol
SMILESCN/C=C\C=CC=C/C=C\O
InChIInChI=1S/C9H13NO/c1-10-8-6-4-2-3-5-7-9-11/h2-11H,1H3/b4-2?,5-3?,8-6-,9-7-
InChIKeyBHLAUMGBUMCJDY-GQDCRHRTSA-N
MW151.21 g/mol
LogP1.90
Rot. Bonds4

About (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol

(1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol (PubChem CID 59875832) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol.

Molecular Properties

Compound Name(1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol
PubChem CID59875832
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol
SMILESCN/C=C\C=CC=C/C=C\O
InChIInChI=1S/C9H13NO/c1-10-8-6-4-2-3-5-7-9-11/h2-11H,1H3/b4-2?,5-3?,8-6-,9-7-
InChIKeyBHLAUMGBUMCJDY-GQDCRHRTSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.90
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 (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol?
The IUPAC name of (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol (CID 59875832) is (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol.
What is the SMILES notation for (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol?
The canonical SMILES for (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol is CN/C=C\C=CC=C/C=C\O.
What is the InChIKey of (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol?
The InChIKey is BHLAUMGBUMCJDY-GQDCRHRTSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-8-6-4-2-3-5-7-9-11/h2-11H,1H3/b4-2?,5-3?,8-6-,9-7-.
What are the key properties of (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol?
(1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol is sourced from PubChem (CID 59875832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).