N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline

C22H30N4 — CID 54356572

IUPACN-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline
SMILESCCCCNc1cccc(C=NN=Cc2cccc(NCCCC)c2)c1
InChIInChI=1S/C22H30N4/c1-3-5-13-23-21-11-7-9-19(15-21)17-25-26-18-20-10-8-12-22(16-20)24-14-6-4-2/h7-12,15-18,23-24H,3-6,13-14H2,1-2H3
InChIKeyUJNDXQXBZMCTOA-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.56
Rot. Bonds11

About N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline

N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline (PubChem CID 54356572) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline.

Molecular Properties

Compound NameN-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline
PubChem CID54356572
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline
SMILESCCCCNc1cccc(C=NN=Cc2cccc(NCCCC)c2)c1
InChIInChI=1S/C22H30N4/c1-3-5-13-23-21-11-7-9-19(15-21)17-25-26-18-20-10-8-12-22(16-20)24-14-6-4-2/h7-12,15-18,23-24H,3-6,13-14H2,1-2H3
InChIKeyUJNDXQXBZMCTOA-UHFFFAOYSA-N
XLogP5.56
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline?
The IUPAC name of N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline (CID 54356572) is N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline.
What is the SMILES notation for N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline?
The canonical SMILES for N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline is CCCCNc1cccc(C=NN=Cc2cccc(NCCCC)c2)c1.
What is the InChIKey of N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline?
The InChIKey is UJNDXQXBZMCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-3-5-13-23-21-11-7-9-19(15-21)17-25-26-18-20-10-8-12-22(16-20)24-14-6-4-2/h7-12,15-18,23-24H,3-6,13-14H2,1-2H3.
What are the key properties of N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline?
N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline has a molecular weight of 350.51 g/mol, XLogP of 5.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[[3-(butylamino)phenyl]methylidenehydrazinylidene]methyl]aniline is sourced from PubChem (CID 54356572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).