2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol

C14H23NO — CID 143537795

IUPAC2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol
SMILESC/C=C\C=C1\CCCC(NCCO)\C1=C\C
InChIInChI=1S/C14H23NO/c1-3-5-7-12-8-6-9-14(13(12)4-2)15-10-11-16/h3-5,7,14-16H,6,8-11H2,1-2H3/b5-3-,12-7-,13-4+
InChIKeyZMRYRMOQPKPAKQ-WXYTZCEMSA-N
MW221.34 g/mol
LogP2.57
Rot. Bonds4

About 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol

2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol (PubChem CID 143537795) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol
PubChem CID143537795
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol
SMILESC/C=C\C=C1\CCCC(NCCO)\C1=C\C
InChIInChI=1S/C14H23NO/c1-3-5-7-12-8-6-9-14(13(12)4-2)15-10-11-16/h3-5,7,14-16H,6,8-11H2,1-2H3/b5-3-,12-7-,13-4+
InChIKeyZMRYRMOQPKPAKQ-WXYTZCEMSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol?
The IUPAC name of 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol (CID 143537795) is 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol is C/C=C\C=C1\CCCC(NCCO)\C1=C\C.
What is the InChIKey of 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol?
The InChIKey is ZMRYRMOQPKPAKQ-WXYTZCEMSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-7-12-8-6-9-14(13(12)4-2)15-10-11-16/h3-5,7,14-16H,6,8-11H2,1-2H3/b5-3-,12-7-,13-4+.
What are the key properties of 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol?
2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol is sourced from PubChem (CID 143537795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).