tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate

C13H25NO2 — CID 138497987

IUPACtert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate
SMILESC=CC(CC)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-7-11(8-2)9-10-14(6)12(15)16-13(3,4)5/h7,11H,1,8-10H2,2-6H3
InChIKeySGXKMOZWYHFDFJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate

tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate (PubChem CID 138497987) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate
PubChem CID138497987
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate
SMILESC=CC(CC)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-7-11(8-2)9-10-14(6)12(15)16-13(3,4)5/h7,11H,1,8-10H2,2-6H3
InChIKeySGXKMOZWYHFDFJ-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.46
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-(3-ethylpent-4-enyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate (CID 138497987) is tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate is C=CC(CC)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate?
The InChIKey is SGXKMOZWYHFDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-11(8-2)9-10-14(6)12(15)16-13(3,4)5/h7,11H,1,8-10H2,2-6H3.
What are the key properties of tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate?
tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate has a molecular weight of 227.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate is sourced from PubChem (CID 138497987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).