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

C13H25NO2 — CID 156530975

IUPAC2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine
SMILESC/C1=C/C(OCCOCCN)CCCCC1
InChIInChI=1S/C13H25NO2/c1-12-5-3-2-4-6-13(11-12)16-10-9-15-8-7-14/h11,13H,2-10,14H2,1H3/b12-11-
InChIKeyLNGSAVUZOXQLQN-QXMHVHEDSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds6

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

2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine (PubChem CID 156530975) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine
PubChem CID156530975
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine
SMILESC/C1=C/C(OCCOCCN)CCCCC1
InChIInChI=1S/C13H25NO2/c1-12-5-3-2-4-6-13(11-12)16-10-9-15-8-7-14/h11,13H,2-10,14H2,1H3/b12-11-
InChIKeyLNGSAVUZOXQLQN-QXMHVHEDSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine?
The IUPAC name of 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine (CID 156530975) is 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine?
The canonical SMILES for 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine is C/C1=C/C(OCCOCCN)CCCCC1.
What is the InChIKey of 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine?
The InChIKey is LNGSAVUZOXQLQN-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12-5-3-2-4-6-13(11-12)16-10-9-15-8-7-14/h11,13H,2-10,14H2,1H3/b12-11-.
What are the key properties of 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine?
2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethoxy]ethanamine is sourced from PubChem (CID 156530975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).