N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride

C13H16ClN2O2- — CID 129317751

IUPACN-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride
SMILESCl.O=C([O-])N(Cc1ccccc1)C12CNCC1C2
InChIInChI=1S/C13H16N2O2.ClH/c16-12(17)15(8-10-4-2-1-3-5-10)13-6-11(13)7-14-9-13;/h1-5,11,14H,6-9H2,(H,16,17);1H/p-1
InChIKeyAZTVNIURQFYOBN-UHFFFAOYSA-M
MW267.74 g/mol
LogP0.62
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride

N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride (PubChem CID 129317751) has the molecular formula C13H16ClN2O2- and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride
PubChem CID129317751
Molecular FormulaC13H16ClN2O2-
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride
SMILESCl.O=C([O-])N(Cc1ccccc1)C12CNCC1C2
InChIInChI=1S/C13H16N2O2.ClH/c16-12(17)15(8-10-4-2-1-3-5-10)13-6-11(13)7-14-9-13;/h1-5,11,14H,6-9H2,(H,16,17);1H/p-1
InChIKeyAZTVNIURQFYOBN-UHFFFAOYSA-M
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 86062450
benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid
CID 118085296
(1R)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 171036424
[(3S,4R)-3-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]-methylcarbamic acid
CID 123945529
N-benzyl-N-[[2-(2-chloro-2-fluorocyclopropyl)phenyl]methyl]carbamate
CID 22377749
N-benzyl-N-(4-hydroxycyclohexyl)carbamate
CID 91827888
benzyl(imidazolidin-4-yl)carbamic acid
CID 175201418
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-benzyl-3a-(hydroxymethyl)-N-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-sulfonamide
CID 137337028
[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride
CID 129278977
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride (CID 129317751) is N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride is Cl.O=C([O-])N(Cc1ccccc1)C12CNCC1C2.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
The InChIKey is AZTVNIURQFYOBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N2O2.ClH/c16-12(17)15(8-10-4-2-1-3-5-10)13-6-11(13)7-14-9-13;/h1-5,11,14H,6-9H2,(H,16,17);1H/p-1.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride?
N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride has a molecular weight of 267.74 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-1-yl)-N-benzylcarbamate;hydrochloride is sourced from PubChem (CID 129317751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).