tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate

C12H24N2O2 — CID 123154029

IUPACtert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate
SMILESCCCC/N=C(\CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-8-9-13-10(7-2)14-11(15)16-12(3,4)5/h6-9H2,1-5H3,(H,13,14,15)
InChIKeyKWMIXTAGBBTHKD-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.12
Rot. Bonds4

About tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate

tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate (PubChem CID 123154029) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate
PubChem CID123154029
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate
SMILESCCCC/N=C(\CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-8-9-13-10(7-2)14-11(15)16-12(3,4)5/h6-9H2,1-5H3,(H,13,14,15)
InChIKeyKWMIXTAGBBTHKD-UHFFFAOYSA-N
XLogP3.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[[amino(butylamino)methylidene]amino]propyl]carbamate
CID 111044672
tert-butyl N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]carbamate
CID 111150576
4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butanethioic S-acid
CID 57040909
tert-butyl N-[N'-[(5S)-5-amino-6-oxooctyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 158533463
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-propanoylcarbamate;molecular fluorine
CID 90778039
tert-butyl N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111129883
6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexanoic acid
CID 59630575
tert-butyl N-[(Z)-2-amino-3-[(N'-butylcarbamimidoyl)amino]prop-2-enyl]carbamate
CID 126595824
tert-butyl N-[3-[[amino-(hexylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111044691
tert-butyl N-[N-(5-hydroxyhex-5-enyl)-C-methylcarbonimidoyl]carbamate
CID 170759640
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-(N-butyl-C-ethylcarbonimidoyl)carbamate?
The IUPAC name of tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate (CID 123154029) is tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate.
What is the SMILES notation for tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate?
The canonical SMILES for tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate is CCCC/N=C(\CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate?
The InChIKey is KWMIXTAGBBTHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-8-9-13-10(7-2)14-11(15)16-12(3,4)5/h6-9H2,1-5H3,(H,13,14,15).
What are the key properties of tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate?
tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate is sourced from PubChem (CID 123154029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).