2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate

C14H23NO2 — CID 123315770

IUPAC2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate
SMILESCCC(C)(C)OC(=O)NCCC1=CCCC=C1
InChIInChI=1S/C14H23NO2/c1-4-14(2,3)17-13(16)15-11-10-12-8-6-5-7-9-12/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,15,16)
InChIKeyLVSUUVAECRHEPY-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.57
Rot. Bonds5

About 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate

2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate (PubChem CID 123315770) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate
PubChem CID123315770
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate
SMILESCCC(C)(C)OC(=O)NCCC1=CCCC=C1
InChIInChI=1S/C14H23NO2/c1-4-14(2,3)17-13(16)15-11-10-12-8-6-5-7-9-12/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,15,16)
InChIKeyLVSUUVAECRHEPY-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl pent-4-EN-1-ylcarbamate
CID 12181732
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
tert-butyl N-[(E)-4-cyclohexylidenebut-2-enyl]carbamate
CID 14395680
tert-butyl N-(4-ethenylhexa-3,5-dienyl)carbamate
CID 134857643
Tert-butyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 11492449
tert-butyl N-(3-methylpent-4-en-1-yl)carbamate
CID 12181709
(R)-4-(Boc-amino)cyclohexene
CID 66696471
tert-butyl N-(2-cyclohexa-1,4-dien-1-ylethyl)carbamate
CID 155934190
tert-butyl N-[(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]carbamate
CID 91347664
tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate
CID 123740466
tert-butyl N-[2-(4-fluorocyclohexa-1,5-dien-1-yl)propyl]carbamate
CID 139397655
tert-butyl N-[5-(aminomethyl)-6-fluorocyclohexa-2,4-dien-1-yl]carbamate
CID 164939496

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate?
The IUPAC name of 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate (CID 123315770) is 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate is CCC(C)(C)OC(=O)NCCC1=CCCC=C1.
What is the InChIKey of 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate?
The InChIKey is LVSUUVAECRHEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(2,3)17-13(16)15-11-10-12-8-6-5-7-9-12/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,15,16).
What are the key properties of 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate?
2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-(2-cyclohexa-1,5-dien-1-ylethyl)carbamate is sourced from PubChem (CID 123315770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).