tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate

C9H18N2O2 — CID 18947920

IUPACtert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/CN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4+
InChIKeyBWNIUPOJWUXWMX-SNAWJCMRSA-N
MW186.25 g/mol
LogP1.03
Rot. Bonds3

About tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate

tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate (PubChem CID 18947920) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
PubChem CID18947920
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nametert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/CN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4+
InChIKeyBWNIUPOJWUXWMX-SNAWJCMRSA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.03
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

tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813
tert-butyl N-(3-bromoprop-2-enyl)carbamate
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tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
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tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
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tert-butyl N-penta-2,4-dienylcarbamate
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tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
CID 107253172
(2-methyl-1-phenoxypropan-2-yl) N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899549
tert-butyl N-[(E)-4-(1-methoxybutan-2-ylamino)but-2-enyl]carbamate
CID 107252977
ethyl (E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate
CID 143719644
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
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tert-butyl N-[(2E)-6-methylhepta-2,4-dienyl]carbamate
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tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate (CID 18947920) is tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/CN.
What is the InChIKey of tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate?
The InChIKey is BWNIUPOJWUXWMX-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5H,6-7,10H2,1-3H3,(H,11,12)/b5-4+.
What are the key properties of tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate?
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate has a molecular weight of 186.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate is sourced from PubChem (CID 18947920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).