N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine

C35H63N3 — CID 122366565

IUPACN-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
SMILESCCCCCCCCCCCCCC/N=C/c1cccc(/C=N/CCCCCCCCCCCCCC)n1
InChIInChI=1S/C35H63N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-36-32-34-28-27-29-35(38-34)33-37-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33H,3-26,30-31H2,1-2H3/b36-32+,37-33+
InChIKeyDSEKGWAZSLEVAD-CQHROMRQSA-N
MW525.91 g/mol
LogP11.32
Rot. Bonds28

About N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine

N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine (PubChem CID 122366565) has the molecular formula C35H63N3 and a molecular weight of 525.91 g/mol. Its IUPAC name is N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
PubChem CID122366565
Molecular FormulaC35H63N3
Molecular Weight525.91 g/mol
Exact Mass525.50
IUPAC NameN-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
SMILESCCCCCCCCCCCCCC/N=C/c1cccc(/C=N/CCCCCCCCCCCCCC)n1
InChIInChI=1S/C35H63N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-36-32-34-28-27-29-35(38-34)33-37-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33H,3-26,30-31H2,1-2H3/b36-32+,37-33+
InChIKeyDSEKGWAZSLEVAD-CQHROMRQSA-N
XLogP11.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.91
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dichloropalladium;N-dodecyl-1-pyridin-2-ylmethanimine
CID 11190208
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol
CID 102215916
1-(3-ethenylphenyl)-N-hexylmethanimine
CID 66742788
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
2-(octyliminomethyl)pyren-1-ol
CID 136703636
N-(2,6-dibutylphenyl)-1-[6-[(2,6-dibutylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011433
1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine
CID 11003936
4-(hexyliminomethyl)benzaldehyde
CID 87557780

Frequently Asked Questions

What is the IUPAC name of N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine?
The IUPAC name of N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine (CID 122366565) is N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine.
What is the SMILES notation for N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine?
The canonical SMILES for N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine is CCCCCCCCCCCCCC/N=C/c1cccc(/C=N/CCCCCCCCCCCCCC)n1.
What is the InChIKey of N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine?
The InChIKey is DSEKGWAZSLEVAD-CQHROMRQSA-N. The full InChI is InChI=1S/C35H63N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-36-32-34-28-27-29-35(38-34)33-37-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33H,3-26,30-31H2,1-2H3/b36-32+,37-33+.
What are the key properties of N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine?
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine has a molecular weight of 525.91 g/mol, XLogP of 11.32, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine is sourced from PubChem (CID 122366565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).