N-benzylcyclohexanimine

C13H17N — CID 11019604

IUPACN-benzylcyclohexanimine
SMILESc1ccc(CN=C2CCCCC2)cc1
InChIInChI=1S/C13H17N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyCYTHNXXBHKXYMA-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.59
Rot. Bonds2

About N-benzylcyclohexanimine

N-benzylcyclohexanimine (PubChem CID 11019604) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-benzylcyclohexanimine.

Molecular Properties

Compound NameN-benzylcyclohexanimine
PubChem CID11019604
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-benzylcyclohexanimine
SMILESc1ccc(CN=C2CCCCC2)cc1
InChIInChI=1S/C13H17N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyCYTHNXXBHKXYMA-UHFFFAOYSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzylcyclohexanimine?
The IUPAC name of N-benzylcyclohexanimine (CID 11019604) is N-benzylcyclohexanimine.
What is the SMILES notation for N-benzylcyclohexanimine?
The canonical SMILES for N-benzylcyclohexanimine is c1ccc(CN=C2CCCCC2)cc1.
What is the InChIKey of N-benzylcyclohexanimine?
The InChIKey is CYTHNXXBHKXYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of N-benzylcyclohexanimine?
N-benzylcyclohexanimine has a molecular weight of 187.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcyclohexanimine is sourced from PubChem (CID 11019604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).