3-[1-(ethylamino)butyl]-N,N-dimethylaniline

C14H24N2 — CID 105080535

IUPAC3-[1-(ethylamino)butyl]-N,N-dimethylaniline
SMILESCCCC(NCC)c1cccc(N(C)C)c1
InChIInChI=1S/C14H24N2/c1-5-8-14(15-6-2)12-9-7-10-13(11-12)16(3)4/h7,9-11,14-15H,5-6,8H2,1-4H3
InChIKeyOFIGLGNJOUMPNB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.20
Rot. Bonds6

About 3-[1-(ethylamino)butyl]-N,N-dimethylaniline

3-[1-(ethylamino)butyl]-N,N-dimethylaniline (PubChem CID 105080535) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[1-(ethylamino)butyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-(ethylamino)butyl]-N,N-dimethylaniline
PubChem CID105080535
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-[1-(ethylamino)butyl]-N,N-dimethylaniline
SMILESCCCC(NCC)c1cccc(N(C)C)c1
InChIInChI=1S/C14H24N2/c1-5-8-14(15-6-2)12-9-7-10-13(11-12)16(3)4/h7,9-11,14-15H,5-6,8H2,1-4H3
InChIKeyOFIGLGNJOUMPNB-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[1-(propylamino)butyl]aniline
CID 105080148
3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030
N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline
CID 105126732
3-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105152936
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
3-(1-hydrazinylheptyl)-N,N-dimethylaniline
CID 105293942
3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline
CID 105092548
N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
CID 105138285
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)butyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-(ethylamino)butyl]-N,N-dimethylaniline (CID 105080535) is 3-[1-(ethylamino)butyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-(ethylamino)butyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-(ethylamino)butyl]-N,N-dimethylaniline is CCCC(NCC)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[1-(ethylamino)butyl]-N,N-dimethylaniline?
The InChIKey is OFIGLGNJOUMPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-8-14(15-6-2)12-9-7-10-13(11-12)16(3)4/h7,9-11,14-15H,5-6,8H2,1-4H3.
What are the key properties of 3-[1-(ethylamino)butyl]-N,N-dimethylaniline?
3-[1-(ethylamino)butyl]-N,N-dimethylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)butyl]-N,N-dimethylaniline is sourced from PubChem (CID 105080535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).