butyl N-(3-methylbutyl)carbamate

C10H21NO2 — CID 127502880

IUPACbutyl N-(3-methylbutyl)carbamate
SMILESCCCCOC(=O)NCCC(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-8-13-10(12)11-7-6-9(2)3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyUISIRHMDJZNXEG-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.56
Rot. Bonds6

About butyl N-(3-methylbutyl)carbamate

butyl N-(3-methylbutyl)carbamate (PubChem CID 127502880) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is butyl N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Namebutyl N-(3-methylbutyl)carbamate
PubChem CID127502880
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namebutyl N-(3-methylbutyl)carbamate
SMILESCCCCOC(=O)NCCC(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-8-13-10(12)11-7-6-9(2)3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyUISIRHMDJZNXEG-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.56
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 butyl N-(3-methylbutyl)carbamate?
The IUPAC name of butyl N-(3-methylbutyl)carbamate (CID 127502880) is butyl N-(3-methylbutyl)carbamate.
What is the SMILES notation for butyl N-(3-methylbutyl)carbamate?
The canonical SMILES for butyl N-(3-methylbutyl)carbamate is CCCCOC(=O)NCCC(C)C.
What is the InChIKey of butyl N-(3-methylbutyl)carbamate?
The InChIKey is UISIRHMDJZNXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-8-13-10(12)11-7-6-9(2)3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of butyl N-(3-methylbutyl)carbamate?
butyl N-(3-methylbutyl)carbamate has a molecular weight of 187.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(3-methylbutyl)carbamate is sourced from PubChem (CID 127502880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).