1-(cycloocten-1-yl)-2-ethoxybutan-1-amine

C14H27NO — CID 106654440

IUPAC1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
SMILESCCOC(CC)C(N)C1=CCCCCCC1
InChIInChI=1S/C14H27NO/c1-3-13(16-4-2)14(15)12-10-8-6-5-7-9-11-12/h10,13-14H,3-9,11,15H2,1-2H3
InChIKeyHTNXICGHEKOMLV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.41
Rot. Bonds5

About 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine

1-(cycloocten-1-yl)-2-ethoxybutan-1-amine (PubChem CID 106654440) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
PubChem CID106654440
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
SMILESCCOC(CC)C(N)C1=CCCCCCC1
InChIInChI=1S/C14H27NO/c1-3-13(16-4-2)14(15)12-10-8-6-5-7-9-11-12/h10,13-14H,3-9,11,15H2,1-2H3
InChIKeyHTNXICGHEKOMLV-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
CID 106653819
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558
1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 106654499
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
CID 106654457
1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
CID 106654451
1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine (CID 106654440) is 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine is CCOC(CC)C(N)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine?
The InChIKey is HTNXICGHEKOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-13(16-4-2)14(15)12-10-8-6-5-7-9-11-12/h10,13-14H,3-9,11,15H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine?
1-(cycloocten-1-yl)-2-ethoxybutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-ethoxybutan-1-amine is sourced from PubChem (CID 106654440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).