(3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol

C9H15NO — CID 143501008

IUPAC(3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol
SMILESC=C/C=C(\C=C/CCO)NC
InChIInChI=1S/C9H15NO/c1-3-6-9(10-2)7-4-5-8-11/h3-4,6-7,10-11H,1,5,8H2,2H3/b7-4-,9-6+
InChIKeyGSOVBUVQEYHALC-WCXGJSBASA-N
MW153.22 g/mol
LogP1.21
Rot. Bonds5

About (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol

(3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol (PubChem CID 143501008) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol.

Molecular Properties

Compound Name(3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol
PubChem CID143501008
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol
SMILESC=C/C=C(\C=C/CCO)NC
InChIInChI=1S/C9H15NO/c1-3-6-9(10-2)7-4-5-8-11/h3-4,6-7,10-11H,1,5,8H2,2H3/b7-4-,9-6+
InChIKeyGSOVBUVQEYHALC-WCXGJSBASA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 134953694
CID 134953694
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CID 144245886
(6-Methyl-1,2-dihydropyridin-2-yl)methanol
CID 19807256
2-(1,2-Dihydropyridin-6-yl)ethanol
CID 67962663
2-(1H-azepin-2-yl)ethanol
CID 69520910
(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
CID 89088346
(3Z,5E)-6-(methylamino)-1-(propan-2-ylamino)octa-3,5-dien-1-ol
CID 89256473
(3E,5Z)-4-aminoocta-3,5,7-trien-1-ol
CID 89418423
(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
CID 90295812
2-(2-Methyl-1,2-dihydropyridin-6-yl)ethanol
CID 126647725
(3Z,5Z)-6-(methylamino)hexa-3,5-dien-1-ol
CID 130374256
3-[[(2Z,4Z,6Z)-5-methylocta-2,4,6-trien-3-yl]amino]propan-1-ol
CID 132151270

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol?
The IUPAC name of (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol (CID 143501008) is (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol.
What is the SMILES notation for (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol?
The canonical SMILES for (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol is C=C/C=C(\C=C/CCO)NC.
What is the InChIKey of (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol?
The InChIKey is GSOVBUVQEYHALC-WCXGJSBASA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-9(10-2)7-4-5-8-11/h3-4,6-7,10-11H,1,5,8H2,2H3/b7-4-,9-6+.
What are the key properties of (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol?
(3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(methylamino)octa-3,5,7-trien-1-ol is sourced from PubChem (CID 143501008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).