1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine

C15H27NO — CID 106654348

IUPAC1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine
SMILESNC(CC1CCCCO1)C1=CCCCCCC1
InChIInChI=1S/C15H27NO/c16-15(12-14-10-6-7-11-17-14)13-8-4-2-1-3-5-9-13/h8,14-15H,1-7,9-12,16H2
InChIKeyUVMZALMXDSVRRY-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.55
Rot. Bonds3

About 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine

1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine (PubChem CID 106654348) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine
PubChem CID106654348
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine
SMILESNC(CC1CCCCO1)C1=CCCCCCC1
InChIInChI=1S/C15H27NO/c16-15(12-14-10-6-7-11-17-14)13-8-4-2-1-3-5-9-13/h8,14-15H,1-7,9-12,16H2
InChIKeyUVMZALMXDSVRRY-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.55
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-(cycloocten-1-yl)-2-(oxolan-2-yl)ethanol
CID 106657616
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
1-(cyclopenten-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953544
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106654174
1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
CID 116661250
1-[(1E)-cycloocten-1-yl]-2-(2-methylphenyl)ethanamine
CID 106652690
cyclohepten-1-yl(oxolan-2-yl)methanol
CID 62078402
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine?
The IUPAC name of 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine (CID 106654348) is 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine is NC(CC1CCCCO1)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine?
The InChIKey is UVMZALMXDSVRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c16-15(12-14-10-6-7-11-17-14)13-8-4-2-1-3-5-9-13/h8,14-15H,1-7,9-12,16H2.
What are the key properties of 1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine?
1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.55, 3 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-(oxan-2-yl)ethanamine is sourced from PubChem (CID 106654348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).