pentan-2-yl N-methylcarbamate

C7H15NO2 — CID 87800864

IUPACpentan-2-yl N-methylcarbamate
SMILESCCCC(C)OC(=O)NC
InChIInChI=1S/C7H15NO2/c1-4-5-6(2)10-7(9)8-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyKFRUOBNVOGPUEK-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.53
Rot. Bonds3

About pentan-2-yl N-methylcarbamate

pentan-2-yl N-methylcarbamate (PubChem CID 87800864) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is pentan-2-yl N-methylcarbamate.

Molecular Properties

Compound Namepentan-2-yl N-methylcarbamate
PubChem CID87800864
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namepentan-2-yl N-methylcarbamate
SMILESCCCC(C)OC(=O)NC
InChIInChI=1S/C7H15NO2/c1-4-5-6(2)10-7(9)8-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyKFRUOBNVOGPUEK-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pentan-2-yloxycarbonylcarbamic acid
CID 163661186
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928
2,2-dimethylhexan-3-yl N-methylcarbamate
CID 175749324
3-methyl-2-(pentan-2-yloxycarbonylamino)butanoic acid
CID 90859610
4-[methyl(3-methylbutyl)amino]butan-2-yl N-methylcarbamate
CID 155574474
azane;pentan-2-yl acetate
CID 174372937
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
pentan-2-yl 4-(methylamino)butanoate
CID 102982621
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91691726
1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate
CID 89183272

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl N-methylcarbamate?
The IUPAC name of pentan-2-yl N-methylcarbamate (CID 87800864) is pentan-2-yl N-methylcarbamate.
What is the SMILES notation for pentan-2-yl N-methylcarbamate?
The canonical SMILES for pentan-2-yl N-methylcarbamate is CCCC(C)OC(=O)NC.
What is the InChIKey of pentan-2-yl N-methylcarbamate?
The InChIKey is KFRUOBNVOGPUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5-6(2)10-7(9)8-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of pentan-2-yl N-methylcarbamate?
pentan-2-yl N-methylcarbamate has a molecular weight of 145.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl N-methylcarbamate is sourced from PubChem (CID 87800864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).