3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate

C12H25NO2 — CID 88972316

IUPAC3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OC(C)(CC)CC
InChIInChI=1S/C12H25NO2/c1-7-11(4,5)13-10(14)15-12(6,8-2)9-3/h7-9H2,1-6H3,(H,13,14)
InChIKeyJGUNREYAZZGWGH-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.48
Rot. Bonds5

About 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate

3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate (PubChem CID 88972316) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate
PubChem CID88972316
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OC(C)(CC)CC
InChIInChI=1S/C12H25NO2/c1-7-11(4,5)13-10(14)15-12(6,8-2)9-3/h7-9H2,1-6H3,(H,13,14)
InChIKeyJGUNREYAZZGWGH-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
cyclopropyl N-(2-methylbutan-2-yl)carbamate
CID 165444750
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
bis(3-methylpentan-3-yl) butanedioate
CID 141267008
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
3-(3-methylpentan-3-yloxy)-3-oxopropanoic acid
CID 54570374
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
2-hydroxy-N-(2-methylbutan-2-yl)acetamide
CID 43558880
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
N-(2-methylbutan-2-yl)-2-oxopropanamide
CID 23336246
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
CID 137320952

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate (CID 88972316) is 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate is CCC(C)(C)NC(=O)OC(C)(CC)CC.
What is the InChIKey of 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate?
The InChIKey is JGUNREYAZZGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-11(4,5)13-10(14)15-12(6,8-2)9-3/h7-9H2,1-6H3,(H,13,14).
What are the key properties of 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate?
3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 88972316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).