1-amino-2-(cycloocten-1-yl)butan-2-ol

C12H23NO — CID 106651477

IUPAC1-amino-2-(cycloocten-1-yl)butan-2-ol
SMILESCCC(O)(CN)C1=CCCCCCC1
InChIInChI=1S/C12H23NO/c1-2-12(14,10-13)11-8-6-4-3-5-7-9-11/h8,14H,2-7,9-10,13H2,1H3
InChIKeyCUKZCCDQYVJNQT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.37
Rot. Bonds3

About 1-amino-2-(cycloocten-1-yl)butan-2-ol

1-amino-2-(cycloocten-1-yl)butan-2-ol (PubChem CID 106651477) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-amino-2-(cycloocten-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-(cycloocten-1-yl)butan-2-ol
PubChem CID106651477
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-amino-2-(cycloocten-1-yl)butan-2-ol
SMILESCCC(O)(CN)C1=CCCCCCC1
InChIInChI=1S/C12H23NO/c1-2-12(14,10-13)11-8-6-4-3-5-7-9-11/h8,14H,2-7,9-10,13H2,1H3
InChIKeyCUKZCCDQYVJNQT-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.37
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 1-amino-2-(cycloocten-1-yl)butan-2-ol?
The IUPAC name of 1-amino-2-(cycloocten-1-yl)butan-2-ol (CID 106651477) is 1-amino-2-(cycloocten-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-(cycloocten-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-(cycloocten-1-yl)butan-2-ol is CCC(O)(CN)C1=CCCCCCC1.
What is the InChIKey of 1-amino-2-(cycloocten-1-yl)butan-2-ol?
The InChIKey is CUKZCCDQYVJNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-12(14,10-13)11-8-6-4-3-5-7-9-11/h8,14H,2-7,9-10,13H2,1H3.
What are the key properties of 1-amino-2-(cycloocten-1-yl)butan-2-ol?
1-amino-2-(cycloocten-1-yl)butan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(cycloocten-1-yl)butan-2-ol is sourced from PubChem (CID 106651477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).