N-hexyl-3-phenylbut-2-en-1-imine

C16H23N — CID 66742213

IUPACN-hexyl-3-phenylbut-2-en-1-imine
SMILESCCCCCC/N=C/C=C(C)c1ccccc1
InChIInChI=1S/C16H23N/c1-3-4-5-9-13-17-14-12-15(2)16-10-7-6-8-11-16/h6-8,10-12,14H,3-5,9,13H2,1-2H3/b15-12?,17-14+
InChIKeyUDIDIARRPDWAOS-HKZSMOOJSA-N
MW229.37 g/mol
LogP4.74
Rot. Bonds7

About N-hexyl-3-phenylbut-2-en-1-imine

N-hexyl-3-phenylbut-2-en-1-imine (PubChem CID 66742213) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-hexyl-3-phenylbut-2-en-1-imine.

Molecular Properties

Compound NameN-hexyl-3-phenylbut-2-en-1-imine
PubChem CID66742213
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-hexyl-3-phenylbut-2-en-1-imine
SMILESCCCCCC/N=C/C=C(C)c1ccccc1
InChIInChI=1S/C16H23N/c1-3-4-5-9-13-17-14-12-15(2)16-10-7-6-8-11-16/h6-8,10-12,14H,3-5,9,13H2,1-2H3/b15-12?,17-14+
InChIKeyUDIDIARRPDWAOS-HKZSMOOJSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.74
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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Related Compounds

[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
N-hexadecyl-1-phenylethanimine
CID 102417154
N-hexyl-2-phenylprop-1-en-1-imine
CID 87132233
(2E,4Z)-2-butyl-5-phenylhexa-2,4-dienoic acid
CID 166794691
N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine
CID 71364022
[(E)-4-hexadecoxybut-2-en-2-yl]benzene
CID 102429308
5-ethylhepta-2,4-dien-2-ylbenzene
CID 91182032
1-fluoronona-1,2-dienylbenzene
CID 174565883
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622
decanal;1-phenylethanone
CID 161488656

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-phenylbut-2-en-1-imine?
The IUPAC name of N-hexyl-3-phenylbut-2-en-1-imine (CID 66742213) is N-hexyl-3-phenylbut-2-en-1-imine.
What is the SMILES notation for N-hexyl-3-phenylbut-2-en-1-imine?
The canonical SMILES for N-hexyl-3-phenylbut-2-en-1-imine is CCCCCC/N=C/C=C(C)c1ccccc1.
What is the InChIKey of N-hexyl-3-phenylbut-2-en-1-imine?
The InChIKey is UDIDIARRPDWAOS-HKZSMOOJSA-N. The full InChI is InChI=1S/C16H23N/c1-3-4-5-9-13-17-14-12-15(2)16-10-7-6-8-11-16/h6-8,10-12,14H,3-5,9,13H2,1-2H3/b15-12?,17-14+.
What are the key properties of N-hexyl-3-phenylbut-2-en-1-imine?
N-hexyl-3-phenylbut-2-en-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-phenylbut-2-en-1-imine is sourced from PubChem (CID 66742213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).