tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate

C11H21N3O2 — CID 50998911

IUPACtert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate
SMILESCC/C(=N\C1CC1)NNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-5-9(12-8-6-7-8)13-14-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyXOFSHWLYCIZQTH-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate

tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate (PubChem CID 50998911) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate
PubChem CID50998911
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nametert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate
SMILESCC/C(=N\C1CC1)NNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-5-9(12-8-6-7-8)13-14-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyXOFSHWLYCIZQTH-UHFFFAOYSA-N
XLogP1.99
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(C-benzyl-N-cyclopentylcarbonimidoyl)amino]carbamate
CID 50998914
tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-(cyclobutylmethylamino)carbamate
CID 58693863
tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
CID 156823405
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
tert-butyl N-(N-butyl-C-ethylcarbonimidoyl)carbamate
CID 123154029
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
CID 107237163

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate (CID 50998911) is tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate is CC/C(=N\C1CC1)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate?
The InChIKey is XOFSHWLYCIZQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-9(12-8-6-7-8)13-14-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate?
tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate has a molecular weight of 227.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(N-cyclopropyl-C-ethylcarbonimidoyl)amino]carbamate is sourced from PubChem (CID 50998911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).