cycloheptyl 6-amino-4,4-dimethylhexanoate

C15H29NO2 — CID 65285477

IUPACcycloheptyl 6-amino-4,4-dimethylhexanoate
SMILESCC(C)(CCN)CCC(=O)OC1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-15(2,11-12-16)10-9-14(17)18-13-7-5-3-4-6-8-13/h13H,3-12,16H2,1-2H3
InChIKeyGIZIYPIJYNLIJZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.41
Rot. Bonds6

About cycloheptyl 6-amino-4,4-dimethylhexanoate

cycloheptyl 6-amino-4,4-dimethylhexanoate (PubChem CID 65285477) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is cycloheptyl 6-amino-4,4-dimethylhexanoate.

Molecular Properties

Compound Namecycloheptyl 6-amino-4,4-dimethylhexanoate
PubChem CID65285477
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namecycloheptyl 6-amino-4,4-dimethylhexanoate
SMILESCC(C)(CCN)CCC(=O)OC1CCCCCC1
InChIInChI=1S/C15H29NO2/c1-15(2,11-12-16)10-9-14(17)18-13-7-5-3-4-6-8-13/h13H,3-12,16H2,1-2H3
InChIKeyGIZIYPIJYNLIJZ-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl 7-aminoheptanoate
CID 21259475
cyclohexyl 4-azido-4-methylpentanoate
CID 122211555
6-amino-N-(3-cyclohexyloxypropyl)-4,4-dimethylhexanamide
CID 65292212
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
dicyclohexyl pentanedioate
CID 15593941
cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002192
copper;cyclohexyl butanoate
CID 67654151
cyclohexyl 5-amino-4-oxopentanoate;hydrochloride
CID 22253131
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
strontium;cyclohexyl butanoate;hydride
CID 173148532

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 6-amino-4,4-dimethylhexanoate?
The IUPAC name of cycloheptyl 6-amino-4,4-dimethylhexanoate (CID 65285477) is cycloheptyl 6-amino-4,4-dimethylhexanoate.
What is the SMILES notation for cycloheptyl 6-amino-4,4-dimethylhexanoate?
The canonical SMILES for cycloheptyl 6-amino-4,4-dimethylhexanoate is CC(C)(CCN)CCC(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl 6-amino-4,4-dimethylhexanoate?
The InChIKey is GIZIYPIJYNLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2,11-12-16)10-9-14(17)18-13-7-5-3-4-6-8-13/h13H,3-12,16H2,1-2H3.
What are the key properties of cycloheptyl 6-amino-4,4-dimethylhexanoate?
cycloheptyl 6-amino-4,4-dimethylhexanoate has a molecular weight of 255.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 6-amino-4,4-dimethylhexanoate is sourced from PubChem (CID 65285477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).