N-(4-chlorophenyl)hexan-1-imine

C12H16ClN — CID 91100522

IUPACN-(4-chlorophenyl)hexan-1-imine
SMILESCCCCC/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-10H,2-5H2,1H3/b14-10+
InChIKeyZOSYQKVEXAOOTP-GXDHUFHOSA-N
MW209.72 g/mol
LogP4.62
Rot. Bonds5

About N-(4-chlorophenyl)hexan-1-imine

N-(4-chlorophenyl)hexan-1-imine (PubChem CID 91100522) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)hexan-1-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)hexan-1-imine
PubChem CID91100522
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-(4-chlorophenyl)hexan-1-imine
SMILESCCCCC/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-10H,2-5H2,1H3/b14-10+
InChIKeyZOSYQKVEXAOOTP-GXDHUFHOSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 54.62
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-(4-methylphenyl)nonan-1-imine
CID 10998858
N-(4-chlorophenyl)-2-ethylsulfonylethanimine
CID 57184324
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CID 67216088
N-(2,3,4,5,6-pentafluorophenyl)hexan-1-imine
CID 11242538
4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine
CID 162517855
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(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
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CID 11184335
N-(2,6-ditert-butylphenyl)octan-1-imine
CID 42636627
1-chloro-4-methylbenzene;pentane
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N-(2-methoxyphenyl)undecan-1-imine
CID 135078926
4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
CID 71322374

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)hexan-1-imine?
The IUPAC name of N-(4-chlorophenyl)hexan-1-imine (CID 91100522) is N-(4-chlorophenyl)hexan-1-imine.
What is the SMILES notation for N-(4-chlorophenyl)hexan-1-imine?
The canonical SMILES for N-(4-chlorophenyl)hexan-1-imine is CCCCC/C=N/c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)hexan-1-imine?
The InChIKey is ZOSYQKVEXAOOTP-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H16ClN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-10H,2-5H2,1H3/b14-10+.
What are the key properties of N-(4-chlorophenyl)hexan-1-imine?
N-(4-chlorophenyl)hexan-1-imine has a molecular weight of 209.72 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)hexan-1-imine is sourced from PubChem (CID 91100522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).