tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

C11H20N2O2 — CID 15713440

IUPACtert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9-7-4-12-5-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?
InChIKeyJXWGBEYMMHSBFU-JVHMLUBASA-N
MW212.29 g/mol
LogP0.98
Rot. Bonds2

About tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (PubChem CID 15713440) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
PubChem CID15713440
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9-7-4-12-5-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?
InChIKeyJXWGBEYMMHSBFU-JVHMLUBASA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CP-101537
CID 11127248
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
tert-butyl N-[2-(piperidin-3-yl)ethyl]carbamate
CID 4362805
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
1-Boc-4-(aminomethyl)piperidine
CID 736817
Tert-butyl 3-(piperidin-4-yl)pyrrolidine-1-carboxylate
CID 16228837
tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
CID 43523185
tert-butyl N-[(piperidin-3-yl)methyl]carbamate
CID 2756030
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-Butyl (1R,5S)-6-amino-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 28820283
(S)-tert-Butyl (piperidin-3-ylmethyl)carbamate
CID 1501847

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (CID 15713440) is tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1[C@H]2CNC[C@@H]12.
What is the InChIKey of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The InChIKey is JXWGBEYMMHSBFU-JVHMLUBASA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9-7-4-12-5-8(7)9/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?.
What are the key properties of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is sourced from PubChem (CID 15713440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).