2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate

C12H25NO2 — CID 153447646

IUPAC2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate
SMILESCC(C)(C)CCNC(=O)OCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)7-8-13-10(14)15-9-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyGOVRVVLRRRRDOG-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds3

About 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate

2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate (PubChem CID 153447646) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate
PubChem CID153447646
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate
SMILESCC(C)(C)CCNC(=O)OCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)7-8-13-10(14)15-9-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyGOVRVVLRRRRDOG-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate?
The IUPAC name of 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate (CID 153447646) is 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate is CC(C)(C)CCNC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate?
The InChIKey is GOVRVVLRRRRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)7-8-13-10(14)15-9-12(4,5)6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate?
2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-(3,3-dimethylbutyl)carbamate is sourced from PubChem (CID 153447646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).