4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol

C14H25NO — CID 106651377

IUPAC4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
SMILESNC1CCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C14H25NO/c15-13-8-10-14(16,11-9-13)12-6-4-2-1-3-5-7-12/h6,13,16H,1-5,7-11,15H2
InChIKeyHMWYRZOEUPIXHV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds1

About 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol

4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol (PubChem CID 106651377) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
PubChem CID106651377
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
SMILESNC1CCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C14H25NO/c15-13-8-10-14(16,11-9-13)12-6-4-2-1-3-5-7-12/h6,13,16H,1-5,7-11,15H2
InChIKeyHMWYRZOEUPIXHV-UHFFFAOYSA-N
XLogP2.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol (CID 106651377) is 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol is NC1CCC(O)(C2=CCCCCCC2)CC1.
What is the InChIKey of 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol?
The InChIKey is HMWYRZOEUPIXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-13-8-10-14(16,11-9-13)12-6-4-2-1-3-5-7-12/h6,13,16H,1-5,7-11,15H2.
What are the key properties of 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol?
4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cycloocten-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 106651377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).