N-benzyl-4-methoxycyclohexan-1-imine

C14H19NO — CID 19962576

IUPACN-benzyl-4-methoxycyclohexan-1-imine
SMILESCOC1CCC(=NCc2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-16-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3/b15-13-
InChIKeyJFIGFGPFKWVYOX-SQFISAMPSA-N
MW217.31 g/mol
LogP3.22
Rot. Bonds3

About N-benzyl-4-methoxycyclohexan-1-imine

N-benzyl-4-methoxycyclohexan-1-imine (PubChem CID 19962576) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-benzyl-4-methoxycyclohexan-1-imine.

Molecular Properties

Compound NameN-benzyl-4-methoxycyclohexan-1-imine
PubChem CID19962576
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-benzyl-4-methoxycyclohexan-1-imine
SMILESCOC1CCC(=NCc2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-16-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3/b15-13-
InChIKeyJFIGFGPFKWVYOX-SQFISAMPSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-benzyl-4-methoxycyclohexan-1-imine?
The IUPAC name of N-benzyl-4-methoxycyclohexan-1-imine (CID 19962576) is N-benzyl-4-methoxycyclohexan-1-imine.
What is the SMILES notation for N-benzyl-4-methoxycyclohexan-1-imine?
The canonical SMILES for N-benzyl-4-methoxycyclohexan-1-imine is COC1CCC(=NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-methoxycyclohexan-1-imine?
The InChIKey is JFIGFGPFKWVYOX-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3/b15-13-.
What are the key properties of N-benzyl-4-methoxycyclohexan-1-imine?
N-benzyl-4-methoxycyclohexan-1-imine has a molecular weight of 217.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxycyclohexan-1-imine is sourced from PubChem (CID 19962576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).