tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C21H41ClN4O2 — CID 165026282

IUPACtert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN1C2CCC1CC(N)C2.CN1C2CCC1CC(NC(=O)OC(C)(C)C)C2.Cl
InChIInChI=1S/C13H24N2O2.C8H16N2.ClH/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4;1-10-7-2-3-8(10)5-6(9)4-7;/h9-11H,5-8H2,1-4H3,(H,14,16);6-8H,2-5,9H2,1H3;1H
InChIKeyPYBKHMWEIJLBRU-UHFFFAOYSA-N
MW417.04 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 165026282) has the molecular formula C21H41ClN4O2 and a molecular weight of 417.04 g/mol. Its IUPAC name is tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID165026282
Molecular FormulaC21H41ClN4O2
Molecular Weight417.04 g/mol
Exact Mass416.29
IUPAC Nametert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN1C2CCC1CC(N)C2.CN1C2CCC1CC(NC(=O)OC(C)(C)C)C2.Cl
InChIInChI=1S/C13H24N2O2.C8H16N2.ClH/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4;1-10-7-2-3-8(10)5-6(9)4-7;/h9-11H,5-8H2,1-4H3,(H,14,16);6-8H,2-5,9H2,1H3;1H
InChIKeyPYBKHMWEIJLBRU-UHFFFAOYSA-N
XLogP3.13
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.04
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride 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

Tert-butyl 3-[(1,2-dimethylpiperidin-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 75428439
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2,2,2-trifluoroacetamide;tert-butyl (1S,5R)-3-[(2,2,2-trifluoroacetyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 175928249
tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-[(2,2,2-trifluoroacetyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 175928253
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;methane
CID 153403832
tert-butyl N-[8-[2-(4-acetylpiperazin-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 156648799
tert-butyl N-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]carbamate;(3R)-N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
CID 157615248
Tert-butyl 3-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxylate;3-methyl-4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 159669505
tert-butyl (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane-8-carboxylate;(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 161342971
tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (3R,5S)-3,5-dimethylpiperazine-1-carboxylate
CID 161485974
Tert-butyl 3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-8-carboxylate;3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 164949827
Tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(diethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 164959524
tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate;tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 164961558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 165026282) is tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is CN1C2CCC1CC(N)C2.CN1C2CCC1CC(NC(=O)OC(C)(C)C)C2.Cl.
What is the InChIKey of tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is PYBKHMWEIJLBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.C8H16N2.ClH/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4;1-10-7-2-3-8(10)5-6(9)4-7;/h9-11H,5-8H2,1-4H3,(H,14,16);6-8H,2-5,9H2,1H3;1H.
What are the key properties of tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 417.04 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate;8-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 165026282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).