N-cyclohexyl-2-phenylbut-1-en-1-imine

C16H21N — CID 134921734

IUPACN-cyclohexyl-2-phenylbut-1-en-1-imine
SMILESCCC(=C=NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H21N/c1-2-14(15-9-5-3-6-10-15)13-17-16-11-7-4-8-12-16/h3,5-6,9-10,16H,2,4,7-8,11-12H2,1H3
InChIKeyRKTQJXIRGYDUSI-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.48
Rot. Bonds3

About N-cyclohexyl-2-phenylbut-1-en-1-imine

N-cyclohexyl-2-phenylbut-1-en-1-imine (PubChem CID 134921734) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-cyclohexyl-2-phenylbut-1-en-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-phenylbut-1-en-1-imine
PubChem CID134921734
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-cyclohexyl-2-phenylbut-1-en-1-imine
SMILESCCC(=C=NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H21N/c1-2-14(15-9-5-3-6-10-15)13-17-16-11-7-4-8-12-16/h3,5-6,9-10,16H,2,4,7-8,11-12H2,1H3
InChIKeyRKTQJXIRGYDUSI-UHFFFAOYSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.48
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

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CID 11983653
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CID 11761331
dimethyl 2-(cyclohexyliminomethylidene)-3-(1,3-dioxo-1,3-diphenylpropan-2-yl)butanedioate
CID 15255379
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
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CID 163689273
cyclohexanol;prop-1-en-2-ylbenzene
CID 69052526
N-cyclohexyl-N'-(2-ethenylphenyl)methanediimine
CID 175437898
3-cyclohexylimino-1,1-diphenylpropan-1-ol
CID 154142475
(2Z)-2-(1-phenylpropylidene)cyclopentan-1-ol
CID 101066581
ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene
CID 155726021
N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
CID 3043201
benzoic acid;methoxymethylcyclohexane
CID 175415905

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenylbut-1-en-1-imine?
The IUPAC name of N-cyclohexyl-2-phenylbut-1-en-1-imine (CID 134921734) is N-cyclohexyl-2-phenylbut-1-en-1-imine.
What is the SMILES notation for N-cyclohexyl-2-phenylbut-1-en-1-imine?
The canonical SMILES for N-cyclohexyl-2-phenylbut-1-en-1-imine is CCC(=C=NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-phenylbut-1-en-1-imine?
The InChIKey is RKTQJXIRGYDUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-14(15-9-5-3-6-10-15)13-17-16-11-7-4-8-12-16/h3,5-6,9-10,16H,2,4,7-8,11-12H2,1H3.
What are the key properties of N-cyclohexyl-2-phenylbut-1-en-1-imine?
N-cyclohexyl-2-phenylbut-1-en-1-imine has a molecular weight of 227.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenylbut-1-en-1-imine is sourced from PubChem (CID 134921734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).