tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate

C14H25NO2 — CID 135083594

IUPACtert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate
SMILESC=CCCN(CCC(=C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-7-8-10-15(11-9-12(2)3)13(16)17-14(4,5)6/h7H,1-2,8-11H2,3-6H3
InChIKeyIVQTYNKKLLUWRR-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.77
Rot. Bonds6

About tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate

tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate (PubChem CID 135083594) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate
PubChem CID135083594
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate
SMILESC=CCCN(CCC(=C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-7-8-10-15(11-9-12(2)3)13(16)17-14(4,5)6/h7H,1-2,8-11H2,3-6H3
InChIKeyIVQTYNKKLLUWRR-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate (CID 135083594) is tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate is C=CCCN(CCC(=C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate?
The InChIKey is IVQTYNKKLLUWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-7-8-10-15(11-9-12(2)3)13(16)17-14(4,5)6/h7H,1-2,8-11H2,3-6H3.
What are the key properties of tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate?
tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-(3-methylbut-3-enyl)carbamate is sourced from PubChem (CID 135083594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).