tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate

C15H24N2O2 — CID 29224666

IUPACtert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\C1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-16-9-10-6-7-11-8-12(10)15(11,4)5/h6,9,11-12H,7-8H2,1-5H3,(H,17,18)/b16-9-/t11-,12-/m0/s1
InChIKeyHVHLNAGGFVPXFB-PVASGMGSSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate

tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate (PubChem CID 29224666) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate
PubChem CID29224666
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\C1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-16-9-10-6-7-11-8-12(10)15(11,4)5/h6,9,11-12H,7-8H2,1-5H3,(H,17,18)/b16-9-/t11-,12-/m0/s1
InChIKeyHVHLNAGGFVPXFB-PVASGMGSSA-N
XLogP3.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate (CID 29224666) is tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C\C1=CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate?
The InChIKey is HVHLNAGGFVPXFB-PVASGMGSSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-16-9-10-6-7-11-8-12(10)15(11,4)5/h6,9,11-12H,7-8H2,1-5H3,(H,17,18)/b16-9-/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate?
tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate has a molecular weight of 264.37 g/mol, XLogP of 3.49, 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)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate is sourced from PubChem (CID 29224666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).