tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate

C13H23NO2 — CID 142946494

IUPACtert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate
SMILESC#CC(C)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-7-11(3)9-10-14(8-2)12(15)16-13(4,5)6/h1,11H,8-10H2,2-6H3
InChIKeyCPPVROARZISKEN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate

tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate (PubChem CID 142946494) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate
PubChem CID142946494
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate
SMILESC#CC(C)CCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-7-11(3)9-10-14(8-2)12(15)16-13(4,5)6/h1,11H,8-10H2,2-6H3
InChIKeyCPPVROARZISKEN-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
CID 107245361

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate (CID 142946494) is tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate is C#CC(C)CCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate?
The InChIKey is CPPVROARZISKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-7-11(3)9-10-14(8-2)12(15)16-13(4,5)6/h1,11H,8-10H2,2-6H3.
What are the key properties of tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate?
tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate has a molecular weight of 225.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(3-methylpent-4-ynyl)carbamate is sourced from PubChem (CID 142946494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).