N-benzyl-1-phenylpentan-1-imine

C18H21N — CID 20688068

IUPACN-benzyl-1-phenylpentan-1-imine
SMILESCCCC/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-14-18(17-12-8-5-9-13-17)19-15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3/b19-18+
InChIKeyYAILLIQODAVWRZ-VHEBQXMUSA-N
MW251.37 g/mol
LogP4.87
Rot. Bonds6

About N-benzyl-1-phenylpentan-1-imine

N-benzyl-1-phenylpentan-1-imine (PubChem CID 20688068) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-benzyl-1-phenylpentan-1-imine.

Molecular Properties

Compound NameN-benzyl-1-phenylpentan-1-imine
PubChem CID20688068
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-benzyl-1-phenylpentan-1-imine
SMILESCCCC/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-14-18(17-12-8-5-9-13-17)19-15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3/b19-18+
InChIKeyYAILLIQODAVWRZ-VHEBQXMUSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
CID 13440858
CID 13440858
N-methoxy-1-phenylhexan-1-imine
CID 141496906
N-(1-phenylpentylideneamino)furan-2-carboxamide
CID 4993294
N-hexyl-4-isocyano-1-phenylbutan-1-imine
CID 135072244
lithium N-hexyl-1-phenylbutan-1-imine
CID 87755277
N-(1-phenylpentylideneamino)octanamide
CID 4676930
[(E)-[(5E)-1,5-diphenyl-5-(trimethylazaniumyl)iminopentylidene]amino]-trimethylazanium
CID 6380651
[(E)-hept-2-en-3-yl]benzene
CID 14568345
N-(1-phenylpropylideneamino)pentanamide
CID 4996868

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylpentan-1-imine?
The IUPAC name of N-benzyl-1-phenylpentan-1-imine (CID 20688068) is N-benzyl-1-phenylpentan-1-imine.
What is the SMILES notation for N-benzyl-1-phenylpentan-1-imine?
The canonical SMILES for N-benzyl-1-phenylpentan-1-imine is CCCC/C(=N\Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-phenylpentan-1-imine?
The InChIKey is YAILLIQODAVWRZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H21N/c1-2-3-14-18(17-12-8-5-9-13-17)19-15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3/b19-18+.
What are the key properties of N-benzyl-1-phenylpentan-1-imine?
N-benzyl-1-phenylpentan-1-imine has a molecular weight of 251.37 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylpentan-1-imine is sourced from PubChem (CID 20688068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).