2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate

C15H27NO2 — CID 103284259

IUPAC2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
SMILESCCCC(C)COC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27NO2/c1-3-4-11(2)10-18-15(17)9-12-7-13-5-6-14(8-12)16-13/h11-14,16H,3-10H2,1-2H3
InChIKeyWUCJQBJADZSNMA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds6

About 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate

2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate (PubChem CID 103284259) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate.

Molecular Properties

Compound Name2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
PubChem CID103284259
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
SMILESCCCC(C)COC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H27NO2/c1-3-4-11(2)10-18-15(17)9-12-7-13-5-6-14(8-12)16-13/h11-14,16H,3-10H2,1-2H3
InChIKeyWUCJQBJADZSNMA-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpentyl 3-amino-3-cyclopropylpropanoate
CID 103284230
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropoxy)acetamide
CID 82723040
2-methylpentyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 103284237
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
bis(2-methylpentyl) heptanedioate
CID 91718408
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide
CID 119795719
cyclopentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 79609107
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795718
2-methylpentyl 2-methylpiperidine-4-carboxylate
CID 106743825
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188749

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
The IUPAC name of 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate (CID 103284259) is 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate.
What is the SMILES notation for 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
The canonical SMILES for 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate is CCCC(C)COC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
The InChIKey is WUCJQBJADZSNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-4-11(2)10-18-15(17)9-12-7-13-5-6-14(8-12)16-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate?
2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate has a molecular weight of 253.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate is sourced from PubChem (CID 103284259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).