4-(hexyliminomethyl)benzaldehyde

C14H19NO — CID 87557780

IUPAC4-(hexyliminomethyl)benzaldehyde
SMILESCCCCCC/N=C/c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-10-15-11-13-6-8-14(12-16)9-7-13/h6-9,11-12H,2-5,10H2,1H3/b15-11+
InChIKeyHRJGRFKIHLIGJG-RVDMUPIBSA-N
MW217.31 g/mol
LogP3.50
Rot. Bonds7

About 4-(hexyliminomethyl)benzaldehyde

4-(hexyliminomethyl)benzaldehyde (PubChem CID 87557780) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(hexyliminomethyl)benzaldehyde.

Molecular Properties

Compound Name4-(hexyliminomethyl)benzaldehyde
PubChem CID87557780
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(hexyliminomethyl)benzaldehyde
SMILESCCCCCC/N=C/c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO/c1-2-3-4-5-10-15-11-13-6-8-14(12-16)9-7-13/h6-9,11-12H,2-5,10H2,1H3/b15-11+
InChIKeyHRJGRFKIHLIGJG-RVDMUPIBSA-N
XLogP3.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-bromophenyl)-N-decylmethanimine
CID 525668
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
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-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
CID 175685800
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
4-dodecan-3-ylbenzaldehyde
CID 57123935
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006

Frequently Asked Questions

What is the IUPAC name of 4-(hexyliminomethyl)benzaldehyde?
The IUPAC name of 4-(hexyliminomethyl)benzaldehyde (CID 87557780) is 4-(hexyliminomethyl)benzaldehyde.
What is the SMILES notation for 4-(hexyliminomethyl)benzaldehyde?
The canonical SMILES for 4-(hexyliminomethyl)benzaldehyde is CCCCCC/N=C/c1ccc(C=O)cc1.
What is the InChIKey of 4-(hexyliminomethyl)benzaldehyde?
The InChIKey is HRJGRFKIHLIGJG-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-5-10-15-11-13-6-8-14(12-16)9-7-13/h6-9,11-12H,2-5,10H2,1H3/b15-11+.
What are the key properties of 4-(hexyliminomethyl)benzaldehyde?
4-(hexyliminomethyl)benzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexyliminomethyl)benzaldehyde is sourced from PubChem (CID 87557780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).