tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine

C15H30N2O2 — CID 142306508

IUPACtert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
SMILESC=C.C=CCCN(CC=C)C(=O)OC(C)(C)C.CN
InChIInChI=1S/C12H21NO2.C2H4.CH5N/c1-6-8-10-13(9-7-2)11(14)15-12(3,4)5;2*1-2/h6-7H,1-2,8-10H2,3-5H3;1-2H2;2H2,1H3
InChIKeyJAAFWHDADKBUTC-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.36
Rot. Bonds5

About tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine

tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine (PubChem CID 142306508) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
PubChem CID142306508
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
SMILESC=C.C=CCCN(CC=C)C(=O)OC(C)(C)C.CN
InChIInChI=1S/C12H21NO2.C2H4.CH5N/c1-6-8-10-13(9-7-2)11(14)15-12(3,4)5;2*1-2/h6-7H,1-2,8-10H2,3-5H3;1-2H2;2H2,1H3
InChIKeyJAAFWHDADKBUTC-UHFFFAOYSA-N
XLogP3.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
tert-butyl N-but-3-enyl-N-(2-oxobut-3-enyl)carbamate
CID 118222042
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate
CID 118798912
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[(E)-4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propyl]amino]but-2-enyl]carbamate
CID 19956406
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
CID 163829772
tert-butyl carbamate;pent-4-enoic acid
CID 142994307
tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 71489209
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine?
The IUPAC name of tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine (CID 142306508) is tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine?
The canonical SMILES for tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine is C=C.C=CCCN(CC=C)C(=O)OC(C)(C)C.CN.
What is the InChIKey of tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine?
The InChIKey is JAAFWHDADKBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.C2H4.CH5N/c1-6-8-10-13(9-7-2)11(14)15-12(3,4)5;2*1-2/h6-7H,1-2,8-10H2,3-5H3;1-2H2;2H2,1H3.
What are the key properties of tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine?
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine has a molecular weight of 270.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine is sourced from PubChem (CID 142306508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).