tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate

C12H24N2O2 — CID 88590232

IUPACtert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate
SMILESC=C(CNC)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(8-13-7)12(5,6)14-10(15)16-11(2,3)4/h13H,1,8H2,2-7H3,(H,14,15)
InChIKeyLPXCTWLZQKYWPH-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate

tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate (PubChem CID 88590232) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate
PubChem CID88590232
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate
SMILESC=C(CNC)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(8-13-7)12(5,6)14-10(15)16-11(2,3)4/h13H,1,8H2,2-7H3,(H,14,15)
InChIKeyLPXCTWLZQKYWPH-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 2-(methylamino)acetate;hydron;chloride
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tert-butyl N-[1-bromo-1-(methylamino)ethyl]carbamate
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tert-butyl N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
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CID 130774480

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate (CID 88590232) is tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate is C=C(CNC)C(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate?
The InChIKey is LPXCTWLZQKYWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(8-13-7)12(5,6)14-10(15)16-11(2,3)4/h13H,1,8H2,2-7H3,(H,14,15).
What are the key properties of tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate?
tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate is sourced from PubChem (CID 88590232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).