tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate

C12H20N2O2 — CID 54105856

IUPACtert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(C#N)C1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14(4)10-6-5-9(7-10)8-13/h9-10H,5-7H2,1-4H3
InChIKeyNDSAZOLWSKMKLV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.55
Rot. Bonds1

About tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate

tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate (PubChem CID 54105856) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
PubChem CID54105856
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nametert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(C#N)C1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14(4)10-6-5-9(7-10)8-13/h9-10H,5-7H2,1-4H3
InChIKeyNDSAZOLWSKMKLV-UHFFFAOYSA-N
XLogP2.55
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
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tert-butyl N-[4-[3-(dimethylamino)-3-oxoprop-1-ynyl]cyclohexyl]-N-methylcarbamate
CID 69198181
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
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tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276
tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
CID 107255892
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate (CID 54105856) is tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCC(C#N)C1.
What is the InChIKey of tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate?
The InChIKey is NDSAZOLWSKMKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14(4)10-6-5-9(7-10)8-13/h9-10H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate?
tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate has a molecular weight of 224.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate is sourced from PubChem (CID 54105856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).