2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol

C12H23NO — CID 167077360

IUPAC2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol
SMILESC=C(/C=C\C(CC)NCCO)CCC
InChIInChI=1S/C12H23NO/c1-4-6-11(3)7-8-12(5-2)13-9-10-14/h7-8,12-14H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyXVIRDIYPQDCBFE-FPLPWBNLSA-N
MW197.32 g/mol
LogP2.26
Rot. Bonds8

About 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol

2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol (PubChem CID 167077360) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol
PubChem CID167077360
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol
SMILESC=C(/C=C\C(CC)NCCO)CCC
InChIInChI=1S/C12H23NO/c1-4-6-11(3)7-8-12(5-2)13-9-10-14/h7-8,12-14H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyXVIRDIYPQDCBFE-FPLPWBNLSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol?
The IUPAC name of 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol (CID 167077360) is 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol is C=C(/C=C\C(CC)NCCO)CCC.
What is the InChIKey of 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol?
The InChIKey is XVIRDIYPQDCBFE-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-11(3)7-8-12(5-2)13-9-10-14/h7-8,12-14H,3-6,9-10H2,1-2H3/b8-7-.
What are the key properties of 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol?
2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-6-methylidenenon-4-en-3-yl]amino]ethanol is sourced from PubChem (CID 167077360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).