N,N-dimethyl-3-[1-(propylamino)butyl]aniline

C15H26N2 — CID 105080148

IUPACN,N-dimethyl-3-[1-(propylamino)butyl]aniline
SMILESCCCNC(CCC)c1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2/c1-5-8-15(16-11-6-2)13-9-7-10-14(12-13)17(3)4/h7,9-10,12,15-16H,5-6,8,11H2,1-4H3
InChIKeyCIOWRMCHUGBUPK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.59
Rot. Bonds7

About N,N-dimethyl-3-[1-(propylamino)butyl]aniline

N,N-dimethyl-3-[1-(propylamino)butyl]aniline (PubChem CID 105080148) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(propylamino)butyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(propylamino)butyl]aniline
PubChem CID105080148
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N-dimethyl-3-[1-(propylamino)butyl]aniline
SMILESCCCNC(CCC)c1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2/c1-5-8-15(16-11-6-2)13-9-7-10-14(12-13)17(3)4/h7,9-10,12,15-16H,5-6,8,11H2,1-4H3
InChIKeyCIOWRMCHUGBUPK-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline
CID 105126732
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
CID 105138285
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
3-(1-hydrazinylheptyl)-N,N-dimethylaniline
CID 105293942
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(propylamino)butyl]aniline?
The IUPAC name of N,N-dimethyl-3-[1-(propylamino)butyl]aniline (CID 105080148) is N,N-dimethyl-3-[1-(propylamino)butyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[1-(propylamino)butyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[1-(propylamino)butyl]aniline is CCCNC(CCC)c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[1-(propylamino)butyl]aniline?
The InChIKey is CIOWRMCHUGBUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-8-15(16-11-6-2)13-9-7-10-14(12-13)17(3)4/h7,9-10,12,15-16H,5-6,8,11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-(propylamino)butyl]aniline?
N,N-dimethyl-3-[1-(propylamino)butyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(propylamino)butyl]aniline is sourced from PubChem (CID 105080148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).