N-butyl-1,1-diphenylmethanimine

C17H19N — CID 13467390

IUPACN-butyl-1,1-diphenylmethanimine
SMILESCCCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-3-14-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyGBUGOMNAHRJNFV-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.32
Rot. Bonds5

About N-butyl-1,1-diphenylmethanimine

N-butyl-1,1-diphenylmethanimine (PubChem CID 13467390) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-butyl-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-butyl-1,1-diphenylmethanimine
PubChem CID13467390
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-butyl-1,1-diphenylmethanimine
SMILESCCCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-2-3-14-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyGBUGOMNAHRJNFV-UHFFFAOYSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,1-diphenylmethanimine?
The IUPAC name of N-butyl-1,1-diphenylmethanimine (CID 13467390) is N-butyl-1,1-diphenylmethanimine.
What is the SMILES notation for N-butyl-1,1-diphenylmethanimine?
The canonical SMILES for N-butyl-1,1-diphenylmethanimine is CCCCN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-1,1-diphenylmethanimine?
The InChIKey is GBUGOMNAHRJNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-3-14-18-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of N-butyl-1,1-diphenylmethanimine?
N-butyl-1,1-diphenylmethanimine has a molecular weight of 237.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1-diphenylmethanimine is sourced from PubChem (CID 13467390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).