4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine

C24H32N2 — CID 158234860

IUPAC4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\c1ccc(-c2cccc(/N=C(\C)CC(C)C)c2)cc1
InChIInChI=1S/C24H32N2/c1-17(2)14-19(5)25-23-12-10-21(11-13-23)22-8-7-9-24(16-22)26-20(6)15-18(3)4/h7-13,16-18H,14-15H2,1-6H3/b25-19+,26-20+
InChIKeyBGTSKZAFTPUVFT-FQHZWJPGSA-N
MW348.53 g/mol
LogP7.63
Rot. Bonds7

About 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine

4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine (PubChem CID 158234860) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine
PubChem CID158234860
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\c1ccc(-c2cccc(/N=C(\C)CC(C)C)c2)cc1
InChIInChI=1S/C24H32N2/c1-17(2)14-19(5)25-23-12-10-21(11-13-23)22-8-7-9-24(16-22)26-20(6)15-18(3)4/h7-13,16-18H,14-15H2,1-6H3/b25-19+,26-20+
InChIKeyBGTSKZAFTPUVFT-FQHZWJPGSA-N
XLogP7.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine?
The IUPAC name of 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine (CID 158234860) is 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine.
What is the SMILES notation for 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine?
The canonical SMILES for 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine is C/C(CC(C)C)=N\c1ccc(-c2cccc(/N=C(\C)CC(C)C)c2)cc1.
What is the InChIKey of 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine?
The InChIKey is BGTSKZAFTPUVFT-FQHZWJPGSA-N. The full InChI is InChI=1S/C24H32N2/c1-17(2)14-19(5)25-23-12-10-21(11-13-23)22-8-7-9-24(16-22)26-20(6)15-18(3)4/h7-13,16-18H,14-15H2,1-6H3/b25-19+,26-20+.
What are the key properties of 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine?
4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine has a molecular weight of 348.53 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine is sourced from PubChem (CID 158234860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).