ethyl N-(2-adamantylideneamino)carbamate

C13H20N2O2 — CID 3762136

IUPACethyl N-(2-adamantylideneamino)carbamate
SMILESCCOC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20N2O2/c1-2-17-13(16)15-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,2-7H2,1H3,(H,15,16)/b14-12-
InChIKeyUNUOIMQPJJWYGO-OWBHPGMISA-N
MW236.31 g/mol
LogP2.54
Rot. Bonds2

About ethyl N-(2-adamantylideneamino)carbamate

ethyl N-(2-adamantylideneamino)carbamate (PubChem CID 3762136) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl N-(2-adamantylideneamino)carbamate.

Molecular Properties

Compound Nameethyl N-(2-adamantylideneamino)carbamate
PubChem CID3762136
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl N-(2-adamantylideneamino)carbamate
SMILESCCOC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20N2O2/c1-2-17-13(16)15-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,2-7H2,1H3,(H,15,16)/b14-12-
InChIKeyUNUOIMQPJJWYGO-OWBHPGMISA-N
XLogP2.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.54
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 ethyl N-(2-adamantylideneamino)carbamate?
The IUPAC name of ethyl N-(2-adamantylideneamino)carbamate (CID 3762136) is ethyl N-(2-adamantylideneamino)carbamate.
What is the SMILES notation for ethyl N-(2-adamantylideneamino)carbamate?
The canonical SMILES for ethyl N-(2-adamantylideneamino)carbamate is CCOC(=O)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl N-(2-adamantylideneamino)carbamate?
The InChIKey is UNUOIMQPJJWYGO-OWBHPGMISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-13(16)15-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,2-7H2,1H3,(H,15,16)/b14-12-.
What are the key properties of ethyl N-(2-adamantylideneamino)carbamate?
ethyl N-(2-adamantylideneamino)carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-adamantylideneamino)carbamate is sourced from PubChem (CID 3762136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).