tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate

C15H27NO2 — CID 102577946

IUPACtert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H27NO2/c1-14(2,3)18-13(17)16-9-10-6-7-11-8-12(10)15(11,4)5/h10-12H,6-9H2,1-5H3,(H,16,17)/t10-,11-,12-/m0/s1
InChIKeyHZZJZJSBVVNTCN-SRVKXCTJSA-N
MW253.39 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate

tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate (PubChem CID 102577946) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate
PubChem CID102577946
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H27NO2/c1-14(2,3)18-13(17)16-9-10-6-7-11-8-12(10)15(11,4)5/h10-12H,6-9H2,1-5H3,(H,16,17)/t10-,11-,12-/m0/s1
InChIKeyHZZJZJSBVVNTCN-SRVKXCTJSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
CID 153296016
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
CID 155904648
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
CID 143403345
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
CID 22408667
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
tert-butyl N-[(2R)-3-(2-hydroxyethyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]carbamate
CID 135011721

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate (CID 102577946) is tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate?
The InChIKey is HZZJZJSBVVNTCN-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)18-13(17)16-9-10-6-7-11-8-12(10)15(11,4)5/h10-12H,6-9H2,1-5H3,(H,16,17)/t10-,11-,12-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate?
tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate has a molecular weight of 253.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]carbamate is sourced from PubChem (CID 102577946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).