(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol

C11H19NO — CID 130243944

IUPAC(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/CC)CCNC
InChIInChI=1S/C11H19NO/c1-4-5-11(8-9-12-3)7-6-10(2)13/h5-7,12-13H,2,4,8-9H2,1,3H3/b7-6-,11-5+
InChIKeyCWYLTEAXLVBZQR-TUKAJDRUSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds6

About (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol

(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol (PubChem CID 130243944) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
PubChem CID130243944
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/CC)CCNC
InChIInChI=1S/C11H19NO/c1-4-5-11(8-9-12-3)7-6-10(2)13/h5-7,12-13H,2,4,8-9H2,1,3H3/b7-6-,11-5+
InChIKeyCWYLTEAXLVBZQR-TUKAJDRUSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.56
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 (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol (CID 130243944) is (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C/CC)CCNC.
What is the InChIKey of (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol?
The InChIKey is CWYLTEAXLVBZQR-TUKAJDRUSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-11(8-9-12-3)7-6-10(2)13/h5-7,12-13H,2,4,8-9H2,1,3H3/b7-6-,11-5+.
What are the key properties of (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol?
(3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol has a molecular weight of 181.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-[2-(methylamino)ethyl]octa-1,3,5-trien-2-ol is sourced from PubChem (CID 130243944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).