5-[4-(4-pentylphenyl)phenyl]pentan-2-imine

C22H29N — CID 170077032

IUPAC5-[4-(4-pentylphenyl)phenyl]pentan-2-imine
SMILES[H]/N=C(\C)CCCc1ccc(-c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C22H29N/c1-3-4-5-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-6-7-18(2)23/h10-17,23H,3-9H2,1-2H3/b23-18+
InChIKeyXSNLGUXNAQIZLI-PTGBLXJZSA-N
MW307.48 g/mol
LogP6.45
Rot. Bonds9

About 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine

5-[4-(4-pentylphenyl)phenyl]pentan-2-imine (PubChem CID 170077032) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine.

Molecular Properties

Compound Name5-[4-(4-pentylphenyl)phenyl]pentan-2-imine
PubChem CID170077032
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name5-[4-(4-pentylphenyl)phenyl]pentan-2-imine
SMILES[H]/N=C(\C)CCCc1ccc(-c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C22H29N/c1-3-4-5-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-6-7-18(2)23/h10-17,23H,3-9H2,1-2H3/b23-18+
InChIKeyXSNLGUXNAQIZLI-PTGBLXJZSA-N
XLogP6.45
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.45
H-Bond Donors ≤ 51
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

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
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CID 19906985
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
1-pentadecyl-4-phenylbenzene
CID 57166115
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
4-(4-octadecylphenyl)benzenethiol
CID 134936183
4-[4-[[4-(4-iminopentyl)phenoxy]methoxy]phenyl]butanimidamide
CID 90128678
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine?
The IUPAC name of 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine (CID 170077032) is 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine.
What is the SMILES notation for 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine?
The canonical SMILES for 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine is [H]/N=C(\C)CCCc1ccc(-c2ccc(CCCCC)cc2)cc1.
What is the InChIKey of 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine?
The InChIKey is XSNLGUXNAQIZLI-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H29N/c1-3-4-5-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-6-7-18(2)23/h10-17,23H,3-9H2,1-2H3/b23-18+.
What are the key properties of 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine?
5-[4-(4-pentylphenyl)phenyl]pentan-2-imine has a molecular weight of 307.48 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-pentylphenyl)phenyl]pentan-2-imine is sourced from PubChem (CID 170077032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).