2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine

C12H23NO — CID 167152985

IUPAC2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine
SMILESCC1/C=C\CCCCCC1OCCN
InChIInChI=1S/C12H23NO/c1-11-7-5-3-2-4-6-8-12(11)14-10-9-13/h5,7,11-12H,2-4,6,8-10,13H2,1H3/b7-5-
InChIKeyXFPGYOFIIHCSIM-ALCCZGGFSA-N
MW197.32 g/mol
LogP2.49
Rot. Bonds3

About 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine

2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine (PubChem CID 167152985) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine
PubChem CID167152985
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine
SMILESCC1/C=C\CCCCCC1OCCN
InChIInChI=1S/C12H23NO/c1-11-7-5-3-2-4-6-8-12(11)14-10-9-13/h5,7,11-12H,2-4,6,8-10,13H2,1H3/b7-5-
InChIKeyXFPGYOFIIHCSIM-ALCCZGGFSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine?
The IUPAC name of 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine (CID 167152985) is 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine.
What is the SMILES notation for 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine?
The canonical SMILES for 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine is CC1/C=C\CCCCCC1OCCN.
What is the InChIKey of 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine?
The InChIKey is XFPGYOFIIHCSIM-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-7-5-3-2-4-6-8-12(11)14-10-9-13/h5,7,11-12H,2-4,6,8-10,13H2,1H3/b7-5-.
What are the key properties of 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine?
2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2-methylcyclonon-3-en-1-yl]oxyethanamine is sourced from PubChem (CID 167152985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).