3-(4-butylphenyl)iminoisoindol-1-amine

C18H19N3 — CID 19154442

IUPAC3-(4-butylphenyl)iminoisoindol-1-amine
SMILESCCCCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C18H19N3/c1-2-3-6-13-9-11-14(12-10-13)20-18-16-8-5-4-7-15(16)17(19)21-18/h4-5,7-12H,2-3,6H2,1H3,(H2,19,20,21)
InChIKeyXAQHWCUSHVDSPU-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.83
Rot. Bonds4

About 3-(4-butylphenyl)iminoisoindol-1-amine

3-(4-butylphenyl)iminoisoindol-1-amine (PubChem CID 19154442) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-butylphenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(4-butylphenyl)iminoisoindol-1-amine
PubChem CID19154442
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(4-butylphenyl)iminoisoindol-1-amine
SMILESCCCCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C18H19N3/c1-2-3-6-13-9-11-14(12-10-13)20-18-16-8-5-4-7-15(16)17(19)21-18/h4-5,7-12H,2-3,6H2,1H3,(H2,19,20,21)
InChIKeyXAQHWCUSHVDSPU-UHFFFAOYSA-N
XLogP3.83
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)iminoisoindol-1-amine
CID 705527
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
5-butyl-3-iminoisoindol-1-amine
CID 70658508
bis(4-decylphenyl)diazene
CID 71359462
butylbenzene;hydroxylamine
CID 175142403
N,N'-bis(4-butylphenyl)methanediimine
CID 87580570
N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine
CID 129088197
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
butylbenzene;propylbenzene
CID 142022125
1-butyl-4-phenylbenzene;ethane
CID 143743409
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(4-butylphenyl)iminoisoindol-1-amine (CID 19154442) is 3-(4-butylphenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(4-butylphenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(4-butylphenyl)iminoisoindol-1-amine is CCCCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1.
What is the InChIKey of 3-(4-butylphenyl)iminoisoindol-1-amine?
The InChIKey is XAQHWCUSHVDSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-3-6-13-9-11-14(12-10-13)20-18-16-8-5-4-7-15(16)17(19)21-18/h4-5,7-12H,2-3,6H2,1H3,(H2,19,20,21).
What are the key properties of 3-(4-butylphenyl)iminoisoindol-1-amine?
3-(4-butylphenyl)iminoisoindol-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)iminoisoindol-1-amine is sourced from PubChem (CID 19154442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).