4-(cycloocten-1-yl)-1-propylazepan-4-ol

C17H31NO — CID 106651193

IUPAC4-(cycloocten-1-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-2-13-18-14-8-11-17(19,12-15-18)16-9-6-4-3-5-7-10-16/h9,19H,2-8,10-15H2,1H3
InChIKeyLRZRGUSMAFDYKM-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds3

About 4-(cycloocten-1-yl)-1-propylazepan-4-ol

4-(cycloocten-1-yl)-1-propylazepan-4-ol (PubChem CID 106651193) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-1-propylazepan-4-ol
PubChem CID106651193
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-(cycloocten-1-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-2-13-18-14-8-11-17(19,12-15-18)16-9-6-4-3-5-7-10-16/h9,19H,2-8,10-15H2,1H3
InChIKeyLRZRGUSMAFDYKM-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
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-(cycloocten-1-yl)-1-propylazepan-4-ol?
The IUPAC name of 4-(cycloocten-1-yl)-1-propylazepan-4-ol (CID 106651193) is 4-(cycloocten-1-yl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(cycloocten-1-yl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(cycloocten-1-yl)-1-propylazepan-4-ol is CCCN1CCCC(O)(C2=CCCCCCC2)CC1.
What is the InChIKey of 4-(cycloocten-1-yl)-1-propylazepan-4-ol?
The InChIKey is LRZRGUSMAFDYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-13-18-14-8-11-17(19,12-15-18)16-9-6-4-3-5-7-10-16/h9,19H,2-8,10-15H2,1H3.
What are the key properties of 4-(cycloocten-1-yl)-1-propylazepan-4-ol?
4-(cycloocten-1-yl)-1-propylazepan-4-ol has a molecular weight of 265.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-1-propylazepan-4-ol is sourced from PubChem (CID 106651193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).