benzyl N-(cyclohexylideneamino)carbamate

C14H18N2O2 — CID 67302752

IUPACbenzyl N-(cyclohexylideneamino)carbamate
SMILESO=C(NN=C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17)
InChIKeyWIZMBOXCFFNTML-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.23
Rot. Bonds3

About benzyl N-(cyclohexylideneamino)carbamate

benzyl N-(cyclohexylideneamino)carbamate (PubChem CID 67302752) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is benzyl N-(cyclohexylideneamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(cyclohexylideneamino)carbamate
PubChem CID67302752
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namebenzyl N-(cyclohexylideneamino)carbamate
SMILESO=C(NN=C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17)
InChIKeyWIZMBOXCFFNTML-UHFFFAOYSA-N
XLogP3.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.23
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 benzyl N-(cyclohexylideneamino)carbamate?
The IUPAC name of benzyl N-(cyclohexylideneamino)carbamate (CID 67302752) is benzyl N-(cyclohexylideneamino)carbamate.
What is the SMILES notation for benzyl N-(cyclohexylideneamino)carbamate?
The canonical SMILES for benzyl N-(cyclohexylideneamino)carbamate is O=C(NN=C1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(cyclohexylideneamino)carbamate?
The InChIKey is WIZMBOXCFFNTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17).
What are the key properties of benzyl N-(cyclohexylideneamino)carbamate?
benzyl N-(cyclohexylideneamino)carbamate has a molecular weight of 246.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(cyclohexylideneamino)carbamate is sourced from PubChem (CID 67302752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).