dicyclohexylmethanimine

C13H23N — CID 21480220

IUPACdicyclohexylmethanimine
SMILES[H]N=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H23N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,14H,1-10H2
InChIKeyZESCEGHVCJPYES-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.17
Rot. Bonds2

About dicyclohexylmethanimine

dicyclohexylmethanimine (PubChem CID 21480220) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is dicyclohexylmethanimine.

Molecular Properties

Compound Namedicyclohexylmethanimine
PubChem CID21480220
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Namedicyclohexylmethanimine
SMILES[H]N=C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H23N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,14H,1-10H2
InChIKeyZESCEGHVCJPYES-UHFFFAOYSA-N
XLogP4.17
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 dicyclohexylmethanimine?
The IUPAC name of dicyclohexylmethanimine (CID 21480220) is dicyclohexylmethanimine.
What is the SMILES notation for dicyclohexylmethanimine?
The canonical SMILES for dicyclohexylmethanimine is [H]N=C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethanimine?
The InChIKey is ZESCEGHVCJPYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,14H,1-10H2.
What are the key properties of dicyclohexylmethanimine?
dicyclohexylmethanimine has a molecular weight of 193.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethanimine is sourced from PubChem (CID 21480220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).