cyclooctyl 7-aminoheptanoate

C15H29NO2 — CID 21259475

IUPACcyclooctyl 7-aminoheptanoate
SMILESNCCCCCCC(=O)OC1CCCCCCC1
InChIInChI=1S/C15H29NO2/c16-13-9-5-4-8-12-15(17)18-14-10-6-2-1-3-7-11-14/h14H,1-13,16H2
InChIKeyOKRVZZKUNGUMMQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.55
Rot. Bonds7

About cyclooctyl 7-aminoheptanoate

cyclooctyl 7-aminoheptanoate (PubChem CID 21259475) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is cyclooctyl 7-aminoheptanoate.

Molecular Properties

Compound Namecyclooctyl 7-aminoheptanoate
PubChem CID21259475
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namecyclooctyl 7-aminoheptanoate
SMILESNCCCCCCC(=O)OC1CCCCCCC1
InChIInChI=1S/C15H29NO2/c16-13-9-5-4-8-12-15(17)18-14-10-6-2-1-3-7-11-14/h14H,1-13,16H2
InChIKeyOKRVZZKUNGUMMQ-UHFFFAOYSA-N
XLogP3.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl pentanedioate
CID 15593941
cyclopentadecyl 8-bromooctanoate
CID 171623648
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
cyclopentyl 6-bromohexanoate
CID 550489
cyclohexyl 6-cyclohexyloxy-6-sulfanylidenehexanoate
CID 155253391
oxetan-3-yl 7-aminoheptanoate
CID 102606717
cyclopentyl 4-aminooxybutanoate
CID 145423732
cyclohexyl 8-cyanooctanoate
CID 154185213
cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclohexyl 5-amino-4-oxopentanoate;hydrochloride
CID 22253131
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclobutyl 4-bromobutanoate
CID 591081

Frequently Asked Questions

What is the IUPAC name of cyclooctyl 7-aminoheptanoate?
The IUPAC name of cyclooctyl 7-aminoheptanoate (CID 21259475) is cyclooctyl 7-aminoheptanoate.
What is the SMILES notation for cyclooctyl 7-aminoheptanoate?
The canonical SMILES for cyclooctyl 7-aminoheptanoate is NCCCCCCC(=O)OC1CCCCCCC1.
What is the InChIKey of cyclooctyl 7-aminoheptanoate?
The InChIKey is OKRVZZKUNGUMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c16-13-9-5-4-8-12-15(17)18-14-10-6-2-1-3-7-11-14/h14H,1-13,16H2.
What are the key properties of cyclooctyl 7-aminoheptanoate?
cyclooctyl 7-aminoheptanoate has a molecular weight of 255.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl 7-aminoheptanoate is sourced from PubChem (CID 21259475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).