tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate

C16H31N3O2 — CID 107249884

IUPACtert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1CCN2CCC1C2)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-15(2,3)21-14(20)18-16(4,5)11-17-13-7-9-19-8-6-12(13)10-19/h12-13,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyFRQXBRCVVVTYKK-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate (PubChem CID 107249884) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
PubChem CID107249884
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1CCN2CCC1C2)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-15(2,3)21-14(20)18-16(4,5)11-17-13-7-9-19-8-6-12(13)10-19/h12-13,17H,6-11H2,1-5H3,(H,18,20)
InChIKeyFRQXBRCVVVTYKK-UHFFFAOYSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate with MolForge

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Related Compounds

3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
CID 106274781
tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate
CID 103894982
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574
tert-butyl 3-[2-(1-azabicyclo[3.2.1]octan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249052
tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate
CID 107249938
tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate
CID 107234129
tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate
CID 83985971
tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
CID 103695583
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate (CID 107249884) is tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate is CC(C)(CNC1CCN2CCC1C2)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate?
The InChIKey is FRQXBRCVVVTYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-15(2,3)21-14(20)18-16(4,5)11-17-13-7-9-19-8-6-12(13)10-19/h12-13,17H,6-11H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 107249884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).