4-[3-(diethylamino)propyl]aniline

C13H22N2 — CID 10608385

IUPAC4-[3-(diethylamino)propyl]aniline
SMILESCCN(CC)CCCc1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-3-15(4-2)11-5-6-12-7-9-13(14)10-8-12/h7-10H,3-6,11,14H2,1-2H3
InChIKeyKPTHRKNNBQCZKK-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.54
Rot. Bonds6

About 4-[3-(diethylamino)propyl]aniline

4-[3-(diethylamino)propyl]aniline (PubChem CID 10608385) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl]aniline.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl]aniline
PubChem CID10608385
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-[3-(diethylamino)propyl]aniline
SMILESCCN(CC)CCCc1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-3-15(4-2)11-5-6-12-7-9-13(14)10-8-12/h7-10H,3-6,11,14H2,1-2H3
InChIKeyKPTHRKNNBQCZKK-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
4-N-(4-aminophenyl)-4-N-[4-[bis[2-(diethylamino)ethyl]amino]butyl]benzene-1,4-diamine
CID 19003925
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
N'-[4-(2-aminoethyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102998280
N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine
CID 175099218
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
4-hexadecylaniline
CID 571906

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl]aniline?
The IUPAC name of 4-[3-(diethylamino)propyl]aniline (CID 10608385) is 4-[3-(diethylamino)propyl]aniline.
What is the SMILES notation for 4-[3-(diethylamino)propyl]aniline?
The canonical SMILES for 4-[3-(diethylamino)propyl]aniline is CCN(CC)CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-(diethylamino)propyl]aniline?
The InChIKey is KPTHRKNNBQCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-15(4-2)11-5-6-12-7-9-13(14)10-8-12/h7-10H,3-6,11,14H2,1-2H3.
What are the key properties of 4-[3-(diethylamino)propyl]aniline?
4-[3-(diethylamino)propyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl]aniline is sourced from PubChem (CID 10608385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).