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

C18H29N3 — CID 105416055

IUPAC2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
SMILESCN(CC1(N(C)C)CCC1)c1ccccc1CNC1CC1
InChIInChI=1S/C18H29N3/c1-20(2)18(11-6-12-18)14-21(3)17-8-5-4-7-15(17)13-19-16-9-10-16/h4-5,7-8,16,19H,6,9-14H2,1-3H3
InChIKeyWDMIMRWFBHWKEU-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.86
Rot. Bonds7

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

2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline (PubChem CID 105416055) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
PubChem CID105416055
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
SMILESCN(CC1(N(C)C)CCC1)c1ccccc1CNC1CC1
InChIInChI=1S/C18H29N3/c1-20(2)18(11-6-12-18)14-21(3)17-8-5-4-7-15(17)13-19-16-9-10-16/h4-5,7-8,16,19H,6,9-14H2,1-3H3
InChIKeyWDMIMRWFBHWKEU-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375210
2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 43571414
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-phenylcyclohexan-1-amine
CID 105414735
1-[[2-(ethylaminomethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950572
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 105415203
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
(7R,8aS)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124855746
2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
CID 54994770
1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105418059
N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine
CID 105417787

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline (CID 105416055) is 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline is CN(CC1(N(C)C)CCC1)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The InChIKey is WDMIMRWFBHWKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(2)18(11-6-12-18)14-21(3)17-8-5-4-7-15(17)13-19-16-9-10-16/h4-5,7-8,16,19H,6,9-14H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline has a molecular weight of 287.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline is sourced from PubChem (CID 105416055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).