[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide

C24H43IN2 — CID 175685800

IUPAC[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
SMILESCCCCCCCCCCCC/N=C/c1ccc([N+](C)(CC)CC)cc1.[I-]
InChIInChI=1S/C24H43N2.HI/c1-5-8-9-10-11-12-13-14-15-16-21-25-22-23-17-19-24(20-18-23)26(4,6-2)7-3;/h17-20,22H,5-16,21H2,1-4H3;1H/q+1;/p-1/b25-22+;
InChIKeyRGVGTBCHEFTAJJ-OSMRDGEFSA-M
MW486.53 g/mol
LogP4.01
Rot. Bonds15

About [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide

[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide (PubChem CID 175685800) has the molecular formula C24H43IN2 and a molecular weight of 486.53 g/mol. Its IUPAC name is [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide.

Molecular Properties

Compound Name[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
PubChem CID175685800
Molecular FormulaC24H43IN2
Molecular Weight486.53 g/mol
Exact Mass486.25
IUPAC Name[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide
SMILESCCCCCCCCCCCC/N=C/c1ccc([N+](C)(CC)CC)cc1.[I-]
InChIInChI=1S/C24H43N2.HI/c1-5-8-9-10-11-12-13-14-15-16-21-25-22-23-17-19-24(20-18-23)26(4,6-2)7-3;/h17-20,22H,5-16,21H2,1-4H3;1H/q+1;/p-1/b25-22+;
InChIKeyRGVGTBCHEFTAJJ-OSMRDGEFSA-M
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.01
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', '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
4-(hexyliminomethyl)benzaldehyde
CID 87557780
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
3-(benzylideneamino)propyl-hexadecyl-dimethylazanium
CID 175686029
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006

Frequently Asked Questions

What is the IUPAC name of [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide?
The IUPAC name of [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide (CID 175685800) is [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide.
What is the SMILES notation for [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide?
The canonical SMILES for [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide is CCCCCCCCCCCC/N=C/c1ccc([N+](C)(CC)CC)cc1.[I-].
What is the InChIKey of [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide?
The InChIKey is RGVGTBCHEFTAJJ-OSMRDGEFSA-M. The full InChI is InChI=1S/C24H43N2.HI/c1-5-8-9-10-11-12-13-14-15-16-21-25-22-23-17-19-24(20-18-23)26(4,6-2)7-3;/h17-20,22H,5-16,21H2,1-4H3;1H/q+1;/p-1/b25-22+;.
What are the key properties of [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide?
[4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide has a molecular weight of 486.53 g/mol, XLogP of 4.01, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dodecyliminomethyl)phenyl]-diethyl-methylazanium iodide is sourced from PubChem (CID 175685800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).