2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine

C26H39N5O2 — CID 89358336

IUPAC2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2ccc(C)c(C)c2)nc(OCCN2CCOCC2)c1
InChIInChI=1S/C26H39N5O2/c1-5-9-31(10-6-2)25-18-24(20-27-29-23-8-7-21(3)22(4)17-23)28-26(19-25)33-16-13-30-11-14-32-15-12-30/h7-8,17-20,29H,5-6,9-16H2,1-4H3/b27-20+
InChIKeyIDIJRTRCSIMOOT-NHFJDJAPSA-N
MW453.63 g/mol
LogP4.48
Rot. Bonds12

About 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine

2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine (PubChem CID 89358336) has the molecular formula C26H39N5O2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine.

Molecular Properties

Compound Name2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
PubChem CID89358336
Molecular FormulaC26H39N5O2
Molecular Weight453.63 g/mol
Exact Mass453.31
IUPAC Name2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2ccc(C)c(C)c2)nc(OCCN2CCOCC2)c1
InChIInChI=1S/C26H39N5O2/c1-5-9-31(10-6-2)25-18-24(20-27-29-23-8-7-21(3)22(4)17-23)28-26(19-25)33-16-13-30-11-14-32-15-12-30/h7-8,17-20,29H,5-6,9-16H2,1-4H3/b27-20+
InChIKeyIDIJRTRCSIMOOT-NHFJDJAPSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine?
The IUPAC name of 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine (CID 89358336) is 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine.
What is the SMILES notation for 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine?
The canonical SMILES for 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine is CCCN(CCC)c1cc(/C=N/Nc2ccc(C)c(C)c2)nc(OCCN2CCOCC2)c1.
What is the InChIKey of 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine?
The InChIKey is IDIJRTRCSIMOOT-NHFJDJAPSA-N. The full InChI is InChI=1S/C26H39N5O2/c1-5-9-31(10-6-2)25-18-24(20-27-29-23-8-7-21(3)22(4)17-23)28-26(19-25)33-16-13-30-11-14-32-15-12-30/h7-8,17-20,29H,5-6,9-16H2,1-4H3/b27-20+.
What are the key properties of 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine?
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine has a molecular weight of 453.63 g/mol, XLogP of 4.48, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine is sourced from PubChem (CID 89358336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).