1-(4-bromophenyl)-N-decylmethanimine

C17H26BrN — CID 525668

IUPAC1-(4-bromophenyl)-N-decylmethanimine
SMILESCCCCCCCCCC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C17H26BrN/c1-2-3-4-5-6-7-8-9-14-19-15-16-10-12-17(18)13-11-16/h10-13,15H,2-9,14H2,1H3/b19-15+
InChIKeyALNKSHWMBBVFFZ-XDJHFCHBSA-N
MW324.31 g/mol
LogP6.01
Rot. Bonds10

About 1-(4-bromophenyl)-N-decylmethanimine

1-(4-bromophenyl)-N-decylmethanimine (PubChem CID 525668) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-decylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-decylmethanimine
PubChem CID525668
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name1-(4-bromophenyl)-N-decylmethanimine
SMILESCCCCCCCCCC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C17H26BrN/c1-2-3-4-5-6-7-8-9-14-19-15-16-10-12-17(18)13-11-16/h10-13,15H,2-9,14H2,1H3/b19-15+
InChIKeyALNKSHWMBBVFFZ-XDJHFCHBSA-N
XLogP6.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 56.01
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'}

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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-ethenylphenyl)-N-hexylmethanimine
CID 66742447
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine
CID 3771816
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
2-[(4-bromophenyl)methylideneamino]ethanamine
CID 141259105

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-decylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-decylmethanimine (CID 525668) is 1-(4-bromophenyl)-N-decylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-decylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-decylmethanimine is CCCCCCCCCC/N=C/c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-decylmethanimine?
The InChIKey is ALNKSHWMBBVFFZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-3-4-5-6-7-8-9-14-19-15-16-10-12-17(18)13-11-16/h10-13,15H,2-9,14H2,1H3/b19-15+.
What are the key properties of 1-(4-bromophenyl)-N-decylmethanimine?
1-(4-bromophenyl)-N-decylmethanimine has a molecular weight of 324.31 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-decylmethanimine is sourced from PubChem (CID 525668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).