propan-2-yl N-(4,4-dimethylpentyl)carbamate

C11H23NO2 — CID 89129593

IUPACpropan-2-yl N-(4,4-dimethylpentyl)carbamate
SMILESCC(C)OC(=O)NCCCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)14-10(13)12-8-6-7-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyLTQBZUSXIRYRTP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds4

About propan-2-yl N-(4,4-dimethylpentyl)carbamate

propan-2-yl N-(4,4-dimethylpentyl)carbamate (PubChem CID 89129593) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is propan-2-yl N-(4,4-dimethylpentyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4,4-dimethylpentyl)carbamate
PubChem CID89129593
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namepropan-2-yl N-(4,4-dimethylpentyl)carbamate
SMILESCC(C)OC(=O)NCCCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)14-10(13)12-8-6-7-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyLTQBZUSXIRYRTP-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
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 propan-2-yl N-(4,4-dimethylpentyl)carbamate?
The IUPAC name of propan-2-yl N-(4,4-dimethylpentyl)carbamate (CID 89129593) is propan-2-yl N-(4,4-dimethylpentyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4,4-dimethylpentyl)carbamate?
The canonical SMILES for propan-2-yl N-(4,4-dimethylpentyl)carbamate is CC(C)OC(=O)NCCCC(C)(C)C.
What is the InChIKey of propan-2-yl N-(4,4-dimethylpentyl)carbamate?
The InChIKey is LTQBZUSXIRYRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)14-10(13)12-8-6-7-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of propan-2-yl N-(4,4-dimethylpentyl)carbamate?
propan-2-yl N-(4,4-dimethylpentyl)carbamate has a molecular weight of 201.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4,4-dimethylpentyl)carbamate is sourced from PubChem (CID 89129593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).