tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate

C9H18N2O2 — CID 124927744

IUPACtert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
SMILESCC/C(C)=N\NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6-7(2)10-11-8(12)13-9(3,4)5/h6H2,1-5H3,(H,11,12)/b10-7-
InChIKeySRDPPBNJUNAGNM-YFHOEESVSA-N
MW186.25 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate

tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate (PubChem CID 124927744) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
PubChem CID124927744
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nametert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
SMILESCC/C(C)=N\NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6-7(2)10-11-8(12)13-9(3,4)5/h6H2,1-5H3,(H,11,12)/b10-7-
InChIKeySRDPPBNJUNAGNM-YFHOEESVSA-N
XLogP2.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(heptadecan-9-ylideneamino)carbamate
CID 169107611
tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 6141635
tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
CID 9074587
(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid
CID 88925296
tert-butyl N-[1-[4-(trifluoromethyl)anilino]propan-2-ylideneamino]carbamate
CID 140870852
ethyl 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
CID 123875399
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
tert-butyl N-[[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]carbamate
CID 4566860
tert-butyl N-[(E)-(4-benzoyl-5-oxohexan-2-ylidene)amino]carbamate
CID 10903705
ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
CID 123532009
1-[(E)-butan-2-ylideneamino]-3-methylurea
CID 55220205
tert-butyl N-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]carbamate
CID 142024551

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate (CID 124927744) is tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate is CC/C(C)=N\NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate?
The InChIKey is SRDPPBNJUNAGNM-YFHOEESVSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-7(2)10-11-8(12)13-9(3,4)5/h6H2,1-5H3,(H,11,12)/b10-7-.
What are the key properties of tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate?
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate has a molecular weight of 186.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate is sourced from PubChem (CID 124927744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).