(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol

C10H17NO — CID 143284640

IUPAC(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol
SMILESC=CC=CC/C(O)=C(\C)NCC
InChIInChI=1S/C10H17NO/c1-4-6-7-8-10(12)9(3)11-5-2/h4,6-7,11-12H,1,5,8H2,2-3H3/b7-6?,10-9-
InChIKeyCIKPGBJRDZVTSX-CZTAHCJSSA-N
MW167.25 g/mol
LogP2.52
Rot. Bonds5

About (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol

(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol (PubChem CID 143284640) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol.

Molecular Properties

Compound Name(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol
PubChem CID143284640
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol
SMILESC=CC=CC/C(O)=C(\C)NCC
InChIInChI=1S/C10H17NO/c1-4-6-7-8-10(12)9(3)11-5-2/h4,6-7,11-12H,1,5,8H2,2-3H3/b7-6?,10-9-
InChIKeyCIKPGBJRDZVTSX-CZTAHCJSSA-N
XLogP2.52
TPSA32.26 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 ≤ 52.52
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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Related Compounds

4-(Methylamino)cyclohepta-1,3,5-trien-1-ol
CID 143531361
(3E,5E)-6-(ethenylamino)hepta-3,5-dien-3-ol;methanimine
CID 145513270
2-(Propylamino)cyclopenta-1,3-dien-1-ol
CID 152603763
(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol
CID 166892548
Ethane;3-(propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199391
(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol
CID 135056781
2-(Ethylamino)cyclohepta-1,3,6-trien-1-ol
CID 143176336
(3E,5E)-6-(ethenylamino)hepta-3,5-dien-3-ol
CID 145513271

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol?
The IUPAC name of (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol (CID 143284640) is (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol.
What is the SMILES notation for (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol?
The canonical SMILES for (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol is C=CC=CC/C(O)=C(\C)NCC.
What is the InChIKey of (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol?
The InChIKey is CIKPGBJRDZVTSX-CZTAHCJSSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-8-10(12)9(3)11-5-2/h4,6-7,11-12H,1,5,8H2,2-3H3/b7-6?,10-9-.
What are the key properties of (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol?
(2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol has a molecular weight of 167.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(ethylamino)octa-2,5,7-trien-3-ol is sourced from PubChem (CID 143284640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).