tert-butyl N-(6-methylhept-5-enyl)carbamate

C13H25NO2 — CID 134926324

IUPACtert-butyl N-(6-methylhept-5-enyl)carbamate
SMILESCC(C)=CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)9-7-6-8-10-14-12(15)16-13(3,4)5/h9H,6-8,10H2,1-5H3,(H,14,15)
InChIKeyLPISOGKGBQARTL-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.65
Rot. Bonds5

About tert-butyl N-(6-methylhept-5-enyl)carbamate

tert-butyl N-(6-methylhept-5-enyl)carbamate (PubChem CID 134926324) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl N-(6-methylhept-5-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methylhept-5-enyl)carbamate
PubChem CID134926324
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl N-(6-methylhept-5-enyl)carbamate
SMILESCC(C)=CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)9-7-6-8-10-14-12(15)16-13(3,4)5/h9H,6-8,10H2,1-5H3,(H,14,15)
InChIKeyLPISOGKGBQARTL-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-(6-methylhept-5-enyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-methylhept-5-enyl)carbamate?
The IUPAC name of tert-butyl N-(6-methylhept-5-enyl)carbamate (CID 134926324) is tert-butyl N-(6-methylhept-5-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-methylhept-5-enyl)carbamate?
The canonical SMILES for tert-butyl N-(6-methylhept-5-enyl)carbamate is CC(C)=CCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-methylhept-5-enyl)carbamate?
The InChIKey is LPISOGKGBQARTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)9-7-6-8-10-14-12(15)16-13(3,4)5/h9H,6-8,10H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(6-methylhept-5-enyl)carbamate?
tert-butyl N-(6-methylhept-5-enyl)carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methylhept-5-enyl)carbamate is sourced from PubChem (CID 134926324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).