N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine

C16H23N — CID 90407063

IUPACN-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
SMILESC=C(C)c1ccc(/C=N/CCCCCC)cc1
InChIInChI=1S/C16H23N/c1-4-5-6-7-12-17-13-15-8-10-16(11-9-15)14(2)3/h8-11,13H,2,4-7,12H2,1,3H3/b17-13+
InChIKeyXLNUIDVRHPGLBH-GHRIWEEISA-N
MW229.37 g/mol
LogP4.72
Rot. Bonds7

About N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine

N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine (PubChem CID 90407063) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
PubChem CID90407063
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
SMILESC=C(C)c1ccc(/C=N/CCCCCC)cc1
InChIInChI=1S/C16H23N/c1-4-5-6-7-12-17-13-15-8-10-16(11-9-15)14(2)3/h8-11,13H,2,4-7,12H2,1,3H3/b17-13+
InChIKeyXLNUIDVRHPGLBH-GHRIWEEISA-N
XLogP4.72
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 ≤ 54.72
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

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
[4-[7-[[4-(4-decoxybenzoyl)oxyphenyl]methylideneamino]heptyliminomethyl]phenyl] 4-decoxybenzoate
CID 102078858
[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
CID 175685800
6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
CID 59344390

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine?
The IUPAC name of N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine (CID 90407063) is N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine.
What is the SMILES notation for N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine?
The canonical SMILES for N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine is C=C(C)c1ccc(/C=N/CCCCCC)cc1.
What is the InChIKey of N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine?
The InChIKey is XLNUIDVRHPGLBH-GHRIWEEISA-N. The full InChI is InChI=1S/C16H23N/c1-4-5-6-7-12-17-13-15-8-10-16(11-9-15)14(2)3/h8-11,13H,2,4-7,12H2,1,3H3/b17-13+.
What are the key properties of N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine?
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine has a molecular weight of 229.37 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine is sourced from PubChem (CID 90407063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).