propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

C14H25NO2 — CID 59598948

IUPACpropyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCCOC(=O)N1C2CCC1CC(C(C)C)C2
InChIInChI=1S/C14H25NO2/c1-4-7-17-14(16)15-12-5-6-13(15)9-11(8-12)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyDVNZIMIJSUYONP-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.43
Rot. Bonds3

About propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 59598948) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namepropyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID59598948
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namepropyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCCOC(=O)N1C2CCC1CC(C(C)C)C2
InChIInChI=1S/C14H25NO2/c1-4-7-17-14(16)15-12-5-6-13(15)9-11(8-12)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyDVNZIMIJSUYONP-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 175819768
ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70658238
2-methylpropyl (5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166764569
benzyl 3-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;benzyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 162235352
ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73110477
8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 22958903
ethyl 3-[4-(1,2-dimethoxy-2-oxoethyl)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 138546211
2-[1-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-4-yl]-2-methoxyacetic acid
CID 138546212
but-3-ynyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 89002796
ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293
1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 131971592
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748295

Frequently Asked Questions

What is the IUPAC name of propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 59598948) is propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is CCCOC(=O)N1C2CCC1CC(C(C)C)C2.
What is the InChIKey of propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is DVNZIMIJSUYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-7-17-14(16)15-12-5-6-13(15)9-11(8-12)10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 59598948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).