tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate

C10H18N2O3 — CID 131984906

IUPACtert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1\CCCOC1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-11-8-5-4-6-14-7-8/h4-7H2,1-3H3,(H,12,13)/b11-8+
InChIKeyHVZDMJHMEZXKTF-DHZHZOJOSA-N
MW214.26 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate

tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate (PubChem CID 131984906) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
PubChem CID131984906
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1\CCCOC1
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-11-8-5-4-6-14-7-8/h4-7H2,1-3H3,(H,12,13)/b11-8+
InChIKeyHVZDMJHMEZXKTF-DHZHZOJOSA-N
XLogP1.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methylcyclohexylidene)amino]carbamate
CID 3505257
tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
CID 67160005
tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate
CID 166507406
tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate
CID 137358606
[(E)-oxolan-3-ylideneamino]carbamic acid
CID 87368691
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
CID 8972503
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-(cyclopentylidenemethyl)carbamate
CID 123797596
tert-butyl 3-oxo-1,5-oxazocane-5-carboxylate
CID 122547457
tert-butyl acetate;oxolane
CID 174954006
(4-oxo-1,3-oxazepan-3-yl) 5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 130322776
tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
CID 75406583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate (CID 131984906) is tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C1\CCCOC1.
What is the InChIKey of tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate?
The InChIKey is HVZDMJHMEZXKTF-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-11-8-5-4-6-14-7-8/h4-7H2,1-3H3,(H,12,13)/b11-8+.
What are the key properties of tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate?
tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate has a molecular weight of 214.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate is sourced from PubChem (CID 131984906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).