N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline

C13H21N3 — CID 5406771

IUPACN-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline
SMILESCCN(CC)C/C(C)=N/Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-4-16(5-2)11-12(3)14-15-13-9-7-6-8-10-13/h6-10,15H,4-5,11H2,1-3H3/b14-12+
InChIKeySHBRHXIRAAZLAA-WYMLVPIESA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds6

About N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline

N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline (PubChem CID 5406771) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline
PubChem CID5406771
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline
SMILESCCN(CC)C/C(C)=N/Nc1ccccc1
InChIInChI=1S/C13H21N3/c1-4-16(5-2)11-12(3)14-15-13-9-7-6-8-10-13/h6-10,15H,4-5,11H2,1-3H3/b14-12+
InChIKeySHBRHXIRAAZLAA-WYMLVPIESA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-Propanone, 2-phenylhydrazone
CID 66026
2-Butanone, 3-methyl-, 2-phenylhydrazone
CID 9576162
2-Butanone, 2-phenylhydrazone
CID 9576180
2-Cyano-N,N-diethyl-2-(phenyl-hydrazono)-acetamidine
CID 6415246
2,3-Butanedione bis(phenylhydrazone)
CID 9613832
Acetaldehyde, phenylhydrazone
CID 6537404
2-Propenal, phenylhydrazone
CID 9561609
N-[3-(phenylhydrazinylidene)butan-2-ylideneamino]aniline
CID 230287
Cyclohexanone phenylhydrazone
CID 70353
Acetaldehyde phenylhy-drazone
CID 5356699
Butyraldehyde, phenylhydrazone
CID 9561026
Ethandial, bis(phenylhydrazone)
CID 9569516

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline?
The IUPAC name of N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline (CID 5406771) is N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline.
What is the SMILES notation for N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline?
The canonical SMILES for N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline is CCN(CC)C/C(C)=N/Nc1ccccc1.
What is the InChIKey of N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline?
The InChIKey is SHBRHXIRAAZLAA-WYMLVPIESA-N. The full InChI is InChI=1S/C13H21N3/c1-4-16(5-2)11-12(3)14-15-13-9-7-6-8-10-13/h6-10,15H,4-5,11H2,1-3H3/b14-12+.
What are the key properties of N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline?
N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline has a molecular weight of 219.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(diethylamino)propan-2-ylideneamino]aniline is sourced from PubChem (CID 5406771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).