tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene

C15H31NO2 — CID 143879621

IUPACtert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
SMILESC=CC.CCN(CCC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2.C3H6/c1-7-13(9-8-10(2)3)11(14)15-12(4,5)6;1-3-2/h10H,7-9H2,1-6H3;3H,1H2,2H3
InChIKeyWFSGYGYIBNHHCP-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene

tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene (PubChem CID 143879621) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
PubChem CID143879621
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nametert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
SMILESC=CC.CCN(CCC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2.C3H6/c1-7-13(9-8-10(2)3)11(14)15-12(4,5)6;1-3-2/h10H,7-9H2,1-6H3;3H,1H2,2H3
InChIKeyWFSGYGYIBNHHCP-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene 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 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-methylpent-4-ynyl)carbamate
CID 142946494
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene?
The IUPAC name of tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene (CID 143879621) is tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene.
What is the SMILES notation for tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene?
The canonical SMILES for tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene is C=CC.CCN(CCC(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene?
The InChIKey is WFSGYGYIBNHHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.C3H6/c1-7-13(9-8-10(2)3)11(14)15-12(4,5)6;1-3-2/h10H,7-9H2,1-6H3;3H,1H2,2H3.
What are the key properties of tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene?
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene has a molecular weight of 257.42 g/mol, XLogP of 4.48, 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-methylbutyl)carbamate;prop-1-ene is sourced from PubChem (CID 143879621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).