tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate

C10H20N2O2 — CID 140618813

IUPACtert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C\CCN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4,6H,5,7-8,11H2,1-3H3,(H,12,13)/b6-4-
InChIKeyPKVRTDWBARUACO-XQRVVYSFSA-N
MW200.28 g/mol
LogP1.42
Rot. Bonds4

About tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate

tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate (PubChem CID 140618813) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
PubChem CID140618813
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C\CCN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4,6H,5,7-8,11H2,1-3H3,(H,12,13)/b6-4-
InChIKeyPKVRTDWBARUACO-XQRVVYSFSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.42
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-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
ethyl (E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate
CID 143719644
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519
tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
CID 131235306
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
tert-butyl N-penta-2,4-dienylcarbamate
CID 54438753
tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
CID 107253172
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
CID 107253047
tert-butyl N-[(2E)-6-methylhepta-2,4-dienyl]carbamate
CID 135038852
tert-butyl N-[(2-aminoethylamino)methyl]carbamate
CID 170030361
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
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tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
CID 169467729

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate (CID 140618813) is tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C\CCN.
What is the InChIKey of tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate?
The InChIKey is PKVRTDWBARUACO-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4,6H,5,7-8,11H2,1-3H3,(H,12,13)/b6-4-.
What are the key properties of tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate?
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate is sourced from PubChem (CID 140618813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).