2-(3,7-dimethylocta-2,6-dienylamino)ethanol

C12H23NO — CID 54460066

IUPAC2-(3,7-dimethylocta-2,6-dienylamino)ethanol
SMILESCC(C)=CCCC(C)=CCNCCO
InChIInChI=1S/C12H23NO/c1-11(2)5-4-6-12(3)7-8-13-9-10-14/h5,7,13-14H,4,6,8-10H2,1-3H3
InChIKeyXAZPMBFSZCPDSR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.26
Rot. Bonds7

About 2-(3,7-dimethylocta-2,6-dienylamino)ethanol

2-(3,7-dimethylocta-2,6-dienylamino)ethanol (PubChem CID 54460066) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienylamino)ethanol.

Molecular Properties

Compound Name2-(3,7-dimethylocta-2,6-dienylamino)ethanol
PubChem CID54460066
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(3,7-dimethylocta-2,6-dienylamino)ethanol
SMILESCC(C)=CCCC(C)=CCNCCO
InChIInChI=1S/C12H23NO/c1-11(2)5-4-6-12(3)7-8-13-9-10-14/h5,7,13-14H,4,6,8-10H2,1-3H3
InChIKeyXAZPMBFSZCPDSR-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,6-dienylamino)ethanol?
The IUPAC name of 2-(3,7-dimethylocta-2,6-dienylamino)ethanol (CID 54460066) is 2-(3,7-dimethylocta-2,6-dienylamino)ethanol.
What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienylamino)ethanol?
The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienylamino)ethanol is CC(C)=CCCC(C)=CCNCCO.
What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienylamino)ethanol?
The InChIKey is XAZPMBFSZCPDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)5-4-6-12(3)7-8-13-9-10-14/h5,7,13-14H,4,6,8-10H2,1-3H3.
What are the key properties of 2-(3,7-dimethylocta-2,6-dienylamino)ethanol?
2-(3,7-dimethylocta-2,6-dienylamino)ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylocta-2,6-dienylamino)ethanol is sourced from PubChem (CID 54460066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).