tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate

C17H33NO2 — CID 164864473

IUPACtert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate
SMILESC=C(C)CCCCCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-15(2)13-11-9-7-8-10-12-14-18(6)16(19)20-17(3,4)5/h1,7-14H2,2-6H3
InChIKeyJUIJMOYRDSSEGB-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.16
Rot. Bonds9

About tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate

tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate (PubChem CID 164864473) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate
PubChem CID164864473
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nametert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate
SMILESC=C(C)CCCCCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-15(2)13-11-9-7-8-10-12-14-18(6)16(19)20-17(3,4)5/h1,7-14H2,2-6H3
InChIKeyJUIJMOYRDSSEGB-UHFFFAOYSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate (CID 164864473) is tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate is C=C(C)CCCCCCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate?
The InChIKey is JUIJMOYRDSSEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-15(2)13-11-9-7-8-10-12-14-18(6)16(19)20-17(3,4)5/h1,7-14H2,2-6H3.
What are the key properties of tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate?
tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate has a molecular weight of 283.46 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(9-methyldec-9-enyl)carbamate is sourced from PubChem (CID 164864473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).