N-hexyl-1-naphthalen-2-ylmethanimine

C17H21N — CID 10857572

IUPACN-hexyl-1-naphthalen-2-ylmethanimine
SMILESCCCCCC/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C17H21N/c1-2-3-4-7-12-18-14-15-10-11-16-8-5-6-9-17(16)13-15/h5-6,8-11,13-14H,2-4,7,12H2,1H3/b18-14+
InChIKeyGGKWRWYMHVMWMY-NBVRZTHBSA-N
MW239.36 g/mol
LogP4.84
Rot. Bonds6

About N-hexyl-1-naphthalen-2-ylmethanimine

N-hexyl-1-naphthalen-2-ylmethanimine (PubChem CID 10857572) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-hexyl-1-naphthalen-2-ylmethanimine.

Molecular Properties

Compound NameN-hexyl-1-naphthalen-2-ylmethanimine
PubChem CID10857572
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-hexyl-1-naphthalen-2-ylmethanimine
SMILESCCCCCC/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C17H21N/c1-2-3-4-7-12-18-14-15-10-11-16-8-5-6-9-17(16)13-15/h5-6,8-11,13-14H,2-4,7,12H2,1H3/b18-14+
InChIKeyGGKWRWYMHVMWMY-NBVRZTHBSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.84
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
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
1-(3-ethenylphenyl)-N-hexylmethanimine
CID 66742788
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-(3,4-dimethoxyphenyl)-N-octadecylmethanimine
CID 3094006
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-naphthalen-2-ylmethanimine?
The IUPAC name of N-hexyl-1-naphthalen-2-ylmethanimine (CID 10857572) is N-hexyl-1-naphthalen-2-ylmethanimine.
What is the SMILES notation for N-hexyl-1-naphthalen-2-ylmethanimine?
The canonical SMILES for N-hexyl-1-naphthalen-2-ylmethanimine is CCCCCC/N=C/c1ccc2ccccc2c1.
What is the InChIKey of N-hexyl-1-naphthalen-2-ylmethanimine?
The InChIKey is GGKWRWYMHVMWMY-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H21N/c1-2-3-4-7-12-18-14-15-10-11-16-8-5-6-9-17(16)13-15/h5-6,8-11,13-14H,2-4,7,12H2,1H3/b18-14+.
What are the key properties of N-hexyl-1-naphthalen-2-ylmethanimine?
N-hexyl-1-naphthalen-2-ylmethanimine has a molecular weight of 239.36 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-naphthalen-2-ylmethanimine is sourced from PubChem (CID 10857572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).