tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate

C16H30N2O2 — CID 103894982

IUPACtert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1CC2CCC1C2)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-16(4,5)10-17-13-9-11-6-7-12(13)8-11/h11-13,17H,6-10H2,1-5H3,(H,18,19)
InChIKeyNCHBBCBDMCEBTM-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate (PubChem CID 103894982) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate
PubChem CID103894982
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1CC2CCC1C2)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-16(4,5)10-17-13-9-11-6-7-12(13)8-11/h11-13,17H,6-10H2,1-5H3,(H,18,19)
InChIKeyNCHBBCBDMCEBTM-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate
CID 107249938
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249884
tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
CID 103390066
N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 130712762
methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
CID 61309137
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
N-(2-bicyclo[2.2.1]heptanyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 2846292
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-[2-methyl-1-[(1-methylpiperidin-3-yl)amino]propan-2-yl]carbamate
CID 104624574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate (CID 103894982) is tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate is CC(C)(CNC1CC2CCC1C2)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate?
The InChIKey is NCHBBCBDMCEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-16(4,5)10-17-13-9-11-6-7-12(13)8-11/h11-13,17H,6-10H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-bicyclo[2.2.1]heptanylamino)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103894982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).