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

C17H24N2O2 — CID 170430375

IUPACtert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccc2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-11-17(12-7-5-4-6-8-12)13-9-18-10-14(13)17/h4-8,13-14,18H,9-11H2,1-3H3,(H,19,20)/t13-,14+,17?
InChIKeyNKXWMJMXFOSLLM-VMZNBEPHSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds3

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

tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (PubChem CID 170430375) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
PubChem CID170430375
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nametert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccc2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-11-17(12-7-5-4-6-8-12)13-9-18-10-14(13)17/h4-8,13-14,18H,9-11H2,1-3H3,(H,19,20)/t13-,14+,17?
InChIKeyNKXWMJMXFOSLLM-VMZNBEPHSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

tert-butyl N-[[7-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 164850848
(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
CID 164860541
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
tert-butyl N-[[2-(3-hydroxyphenyl)-2-adamantyl]methyl]carbamate
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tert-butyl N-(anilinomethyl)carbamate
CID 87555144
methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-phenylcyclopropane-1-carboxylate
CID 70985003
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl N-[[(3aR,6aS)-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455617
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
CID 46829957
6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 83679887

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (CID 170430375) is tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2ccccc2)[C@@H]2CNC[C@@H]21.
What is the InChIKey of tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The InChIKey is NKXWMJMXFOSLLM-VMZNBEPHSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-11-17(12-7-5-4-6-8-12)13-9-18-10-14(13)17/h4-8,13-14,18H,9-11H2,1-3H3,(H,19,20)/t13-,14+,17?.
What are the key properties of tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate has a molecular weight of 288.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is sourced from PubChem (CID 170430375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).