N-benzhydryl-1-cyclohexylmethanimine

C20H23N — CID 10826411

IUPACN-benzhydryl-1-cyclohexylmethanimine
SMILESC(=N/C(c1ccccc1)c1ccccc1)\C1CCCCC1
InChIInChI=1S/C20H23N/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-17,20H,1,4-5,10-11H2/b21-16+
InChIKeyVEXVACFDKDSDNN-LTGZKZEYSA-N
MW277.41 g/mol
LogP5.43
Rot. Bonds4

About N-benzhydryl-1-cyclohexylmethanimine

N-benzhydryl-1-cyclohexylmethanimine (PubChem CID 10826411) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-benzhydryl-1-cyclohexylmethanimine.

Molecular Properties

Compound NameN-benzhydryl-1-cyclohexylmethanimine
PubChem CID10826411
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-benzhydryl-1-cyclohexylmethanimine
SMILESC(=N/C(c1ccccc1)c1ccccc1)\C1CCCCC1
InChIInChI=1S/C20H23N/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-17,20H,1,4-5,10-11H2/b21-16+
InChIKeyVEXVACFDKDSDNN-LTGZKZEYSA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.43
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-benzhydryl-1-cyclohexylmethanimine?
The IUPAC name of N-benzhydryl-1-cyclohexylmethanimine (CID 10826411) is N-benzhydryl-1-cyclohexylmethanimine.
What is the SMILES notation for N-benzhydryl-1-cyclohexylmethanimine?
The canonical SMILES for N-benzhydryl-1-cyclohexylmethanimine is C(=N/C(c1ccccc1)c1ccccc1)\C1CCCCC1.
What is the InChIKey of N-benzhydryl-1-cyclohexylmethanimine?
The InChIKey is VEXVACFDKDSDNN-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H23N/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-17,20H,1,4-5,10-11H2/b21-16+.
What are the key properties of N-benzhydryl-1-cyclohexylmethanimine?
N-benzhydryl-1-cyclohexylmethanimine has a molecular weight of 277.41 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-cyclohexylmethanimine is sourced from PubChem (CID 10826411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).