tert-butyl N-(4,4-dimethylpentyl)carbamate

C12H25NO2 — CID 20598530

IUPACtert-butyl N-(4,4-dimethylpentyl)carbamate
SMILESCC(C)(C)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)8-7-9-13-10(14)15-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyAFZRHAXRDREZTQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl N-(4,4-dimethylpentyl)carbamate

tert-butyl N-(4,4-dimethylpentyl)carbamate (PubChem CID 20598530) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethylpentyl)carbamate
PubChem CID20598530
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl N-(4,4-dimethylpentyl)carbamate
SMILESCC(C)(C)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)8-7-9-13-10(14)15-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyAFZRHAXRDREZTQ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-dimethylpentyl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethylpentyl)carbamate (CID 20598530) is tert-butyl N-(4,4-dimethylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethylpentyl)carbamate is CC(C)(C)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4,4-dimethylpentyl)carbamate?
The InChIKey is AFZRHAXRDREZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)8-7-9-13-10(14)15-12(4,5)6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-(4,4-dimethylpentyl)carbamate?
tert-butyl N-(4,4-dimethylpentyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-dimethylpentyl)carbamate is sourced from PubChem (CID 20598530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).