2-methylpropyl N-(1-cyanocycloheptyl)carbamate

C13H22N2O2 — CID 61122617

IUPAC2-methylpropyl N-(1-cyanocycloheptyl)carbamate
SMILESCC(C)COC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C13H22N2O2/c1-11(2)9-17-12(16)15-13(10-14)7-5-3-4-6-8-13/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXYONASVRPAVGHC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.99
Rot. Bonds3

About 2-methylpropyl N-(1-cyanocycloheptyl)carbamate

2-methylpropyl N-(1-cyanocycloheptyl)carbamate (PubChem CID 61122617) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methylpropyl N-(1-cyanocycloheptyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1-cyanocycloheptyl)carbamate
PubChem CID61122617
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methylpropyl N-(1-cyanocycloheptyl)carbamate
SMILESCC(C)COC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C13H22N2O2/c1-11(2)9-17-12(16)15-13(10-14)7-5-3-4-6-8-13/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXYONASVRPAVGHC-UHFFFAOYSA-N
XLogP2.99
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
2-methylpropyl N-[1-(aminomethyl)cyclopentyl]carbamate
CID 63766538
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743
[1-(2-methylpropoxycarbonylamino)cyclohexyl] formate
CID 57323212
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194275
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1-cyanocycloheptyl)carbamate?
The IUPAC name of 2-methylpropyl N-(1-cyanocycloheptyl)carbamate (CID 61122617) is 2-methylpropyl N-(1-cyanocycloheptyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1-cyanocycloheptyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1-cyanocycloheptyl)carbamate is CC(C)COC(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 2-methylpropyl N-(1-cyanocycloheptyl)carbamate?
The InChIKey is XYONASVRPAVGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)9-17-12(16)15-13(10-14)7-5-3-4-6-8-13/h11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-methylpropyl N-(1-cyanocycloheptyl)carbamate?
2-methylpropyl N-(1-cyanocycloheptyl)carbamate has a molecular weight of 238.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1-cyanocycloheptyl)carbamate is sourced from PubChem (CID 61122617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).