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

C11H21NO — CID 156530402

IUPAC2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine
SMILESC/C1=C/C(OCCN)CCCCC1
InChIInChI=1S/C11H21NO/c1-10-5-3-2-4-6-11(9-10)13-8-7-12/h9,11H,2-8,12H2,1H3/b10-9-
InChIKeyXXFWJSWXNPHUBO-KTKRTIGZSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds3

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

2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine (PubChem CID 156530402) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine
PubChem CID156530402
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine
SMILESC/C1=C/C(OCCN)CCCCC1
InChIInChI=1S/C11H21NO/c1-10-5-3-2-4-6-11(9-10)13-8-7-12/h9,11H,2-8,12H2,1H3/b10-9-
InChIKeyXXFWJSWXNPHUBO-KTKRTIGZSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
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-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine?
The IUPAC name of 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine (CID 156530402) is 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine.
What is the SMILES notation for 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine?
The canonical SMILES for 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine is C/C1=C/C(OCCN)CCCCC1.
What is the InChIKey of 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine?
The InChIKey is XXFWJSWXNPHUBO-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-5-3-2-4-6-11(9-10)13-8-7-12/h9,11H,2-8,12H2,1H3/b10-9-.
What are the key properties of 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine?
2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethanamine is sourced from PubChem (CID 156530402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).