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

C17H29N3 — CID 105415190

IUPAC2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
SMILESCC[C@H](N)c1ccccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H29N3/c1-5-15(18)14-9-6-7-10-16(14)20(4)13-17(19(2)3)11-8-12-17/h6-7,9-10,15H,5,8,11-13,18H2,1-4H3/t15-/m0/s1
InChIKeyGOIWOQNYSONLGT-HNNXBMFYSA-N
MW275.44 g/mol
LogP3.02
Rot. Bonds6

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

2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline (PubChem CID 105415190) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
PubChem CID105415190
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
SMILESCC[C@H](N)c1ccccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H29N3/c1-5-15(18)14-9-6-7-10-16(14)20(4)13-17(19(2)3)11-8-12-17/h6-7,9-10,15H,5,8,11-13,18H2,1-4H3/t15-/m0/s1
InChIKeyGOIWOQNYSONLGT-HNNXBMFYSA-N
XLogP3.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415288
(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-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105417896
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline (CID 105415190) is 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline is CC[C@H](N)c1ccccc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
The InChIKey is GOIWOQNYSONLGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-15(18)14-9-6-7-10-16(14)20(4)13-17(19(2)3)11-8-12-17/h6-7,9-10,15H,5,8,11-13,18H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline?
2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline has a molecular weight of 275.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline is sourced from PubChem (CID 105415190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).