N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline

C18H31N3 — CID 105415203

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
SMILESCCNC(C)c1ccccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H31N3/c1-6-19-15(2)16-10-7-8-11-17(16)21(5)14-18(20(3)4)12-9-13-18/h7-8,10-11,15,19H,6,9,12-14H2,1-5H3
InChIKeySXDQJDHIQVKRMC-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.28
Rot. Bonds7

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline (PubChem CID 105415203) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
PubChem CID105415203
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
SMILESCCNC(C)c1ccccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H31N3/c1-6-19-15(2)16-10-7-8-11-17(16)21(5)14-18(20(3)4)12-9-13-18/h7-8,10-11,15,19H,6,9,12-14H2,1-5H3
InChIKeySXDQJDHIQVKRMC-UHFFFAOYSA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596
2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415190
2-(1-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415288
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
CID 102632638
2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275924
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43569244
1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105417896
2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528292

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline (CID 105415203) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline is CCNC(C)c1ccccc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline?
The InChIKey is SXDQJDHIQVKRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-19-15(2)16-10-7-8-11-17(16)21(5)14-18(20(3)4)12-9-13-18/h7-8,10-11,15,19H,6,9,12-14H2,1-5H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline has a molecular weight of 289.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline is sourced from PubChem (CID 105415203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).