1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine

C23H30N2 — CID 139241248

IUPAC1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
SMILESCC(C)c1ccc(/C=N/CCC/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2/c1-18(2)22-10-6-20(7-11-22)16-24-14-5-15-25-17-21-8-12-23(13-9-21)19(3)4/h6-13,16-19H,5,14-15H2,1-4H3/b24-16+,25-17+
InChIKeyGJFXIVVNAHSACY-MUPYBJATSA-N
MW334.51 g/mol
LogP5.86
Rot. Bonds8

About 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine

1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine (PubChem CID 139241248) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
PubChem CID139241248
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
SMILESCC(C)c1ccc(/C=N/CCC/N=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2/c1-18(2)22-10-6-20(7-11-22)16-24-14-5-15-25-17-21-8-12-23(13-9-21)19(3)4/h6-13,16-19H,5,14-15H2,1-4H3/b24-16+,25-17+
InChIKeyGJFXIVVNAHSACY-MUPYBJATSA-N
XLogP5.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde
CID 157133896
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine
CID 134096569
6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
CID 59344390
6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
CID 59344399
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
4-(hexyliminomethyl)benzaldehyde
CID 87557780
4-propan-2-ylbenzaldehyde
CID 326

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine (CID 139241248) is 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine is CC(C)c1ccc(/C=N/CCC/N=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine?
The InChIKey is GJFXIVVNAHSACY-MUPYBJATSA-N. The full InChI is InChI=1S/C23H30N2/c1-18(2)22-10-6-20(7-11-22)16-24-14-5-15-25-17-21-8-12-23(13-9-21)19(3)4/h6-13,16-19H,5,14-15H2,1-4H3/b24-16+,25-17+.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine?
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine has a molecular weight of 334.51 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine is sourced from PubChem (CID 139241248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).