tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

C18H32N2O2 — CID 103700806

IUPACtert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1CCC(NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O2/c1-12-5-6-13(9-12)19-14-10-15-7-8-16(11-14)20(15)17(21)22-18(2,3)4/h12-16,19H,5-11H2,1-4H3
InChIKeyDAGKLLSRROXQCE-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 103700806) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID103700806
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1CCC(NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O2/c1-12-5-6-13(9-12)19-14-10-15-7-8-16(11-14)20(15)17(21)22-18(2,3)4/h12-16,19H,5-11H2,1-4H3
InChIKeyDAGKLLSRROXQCE-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl (1S,5R)-3-[[(2S,4R)-1,2-dimethylpiperidin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 124778533
tert-butyl (1S,5S)-3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98122671
tert-butyl 3-[(3-aminocyclohexyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 107244911
tert-butyl 3-[(5-methylthiolan-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 107244892
tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
CID 115653281
tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103921567
tert-butyl (1S,5S)-3-hydrazinyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58338154
tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 82710466
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl 3-hydrazinyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951229
tert-butyl 3-(piperidin-1-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103881761
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 103700806) is tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate is CC1CCC(NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is DAGKLLSRROXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-12-5-6-13(9-12)19-14-10-15-7-8-16(11-14)20(15)17(21)22-18(2,3)4/h12-16,19H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 308.47 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 103700806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).