tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen

C11H22N2O2 — CID 156824590

IUPACtert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen
SMILESCN1CC2C(C1)C2NC(=O)OC(C)(C)C.[H][H]
InChIInChI=1S/C11H20N2O2.H2/c1-11(2,3)15-10(14)12-9-7-5-13(4)6-8(7)9;/h7-9H,5-6H2,1-4H3,(H,12,14);1H
InChIKeyCHOGKAAQVZUBSJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.32
Rot. Bonds1

About tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen

tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen (PubChem CID 156824590) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen
PubChem CID156824590
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen
SMILESCN1CC2C(C1)C2NC(=O)OC(C)(C)C.[H][H]
InChIInChI=1S/C11H20N2O2.H2/c1-11(2,3)15-10(14)12-9-7-5-13(4)6-8(7)9;/h7-9H,5-6H2,1-4H3,(H,12,14);1H
InChIKeyCHOGKAAQVZUBSJ-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
CID 122463347
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]hept-3-enyl]carbamate
CID 124748419
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 176897655
tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate
CID 126486338
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
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tert-butyl N-[(1S,5R)-3-cyano-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 138693921
cis-dimethyl (1R,2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1,2-dicarboxylate
CID 83920487
tert-butyl N-(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl)carbamate
CID 102568823

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen (CID 156824590) is tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen is CN1CC2C(C1)C2NC(=O)OC(C)(C)C.[H][H].
What is the InChIKey of tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen?
The InChIKey is CHOGKAAQVZUBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.H2/c1-11(2,3)15-10(14)12-9-7-5-13(4)6-8(7)9;/h7-9H,5-6H2,1-4H3,(H,12,14);1H.
What are the key properties of tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen?
tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen has a molecular weight of 214.31 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen is sourced from PubChem (CID 156824590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).