N-benzhydrylcyclohexanimine

C19H21N — CID 21325876

IUPACN-benzhydrylcyclohexanimine
SMILESc1ccc(C(N=C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-2,4-7,10-13,19H,3,8-9,14-15H2
InChIKeyVFUASZYJGVCVEP-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.18
Rot. Bonds3

About N-benzhydrylcyclohexanimine

N-benzhydrylcyclohexanimine (PubChem CID 21325876) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzhydrylcyclohexanimine.

Molecular Properties

Compound NameN-benzhydrylcyclohexanimine
PubChem CID21325876
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-benzhydrylcyclohexanimine
SMILESc1ccc(C(N=C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-2,4-7,10-13,19H,3,8-9,14-15H2
InChIKeyVFUASZYJGVCVEP-UHFFFAOYSA-N
XLogP5.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.18
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-benzhydrylcyclohexanimine?
The IUPAC name of N-benzhydrylcyclohexanimine (CID 21325876) is N-benzhydrylcyclohexanimine.
What is the SMILES notation for N-benzhydrylcyclohexanimine?
The canonical SMILES for N-benzhydrylcyclohexanimine is c1ccc(C(N=C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydrylcyclohexanimine?
The InChIKey is VFUASZYJGVCVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-2,4-7,10-13,19H,3,8-9,14-15H2.
What are the key properties of N-benzhydrylcyclohexanimine?
N-benzhydrylcyclohexanimine has a molecular weight of 263.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylcyclohexanimine is sourced from PubChem (CID 21325876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).