1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

C17H27N3 — CID 105421360

IUPAC1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1ccc2c(c1)NCC2)CC1(N(C)C)CCC1
InChIInChI=1S/C17H27N3/c1-19(2)17(8-4-9-17)13-20(3)12-14-5-6-15-7-10-18-16(15)11-14/h5-6,11,18H,4,7-10,12-13H2,1-3H3
InChIKeyGNRZAGNKCMCLSG-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.57
Rot. Bonds5

About 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105421360) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105421360
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1ccc2c(c1)NCC2)CC1(N(C)C)CCC1
InChIInChI=1S/C17H27N3/c1-19(2)17(8-4-9-17)13-20(3)12-14-5-6-15-7-10-18-16(15)11-14/h5-6,11,18H,4,7-10,12-13H2,1-3H3
InChIKeyGNRZAGNKCMCLSG-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-6-ylmethyl)-N,2,2-trimethylpropan-1-amine
CID 113382557
2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105421348
2-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylethanamine
CID 115105305
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
N-(cyclobutylmethyl)-N-(2,3-dihydro-1H-indol-6-ylmethyl)ethanamine
CID 107399402
6-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105433
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 63234508
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
2-(2,3-dihydro-1H-indol-6-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 115105325
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
N,N-dimethyl-1-[[methyl(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 105421361
3-(2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 115105426

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105421360) is 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(Cc1ccc2c(c1)NCC2)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is GNRZAGNKCMCLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(2)17(8-4-9-17)13-20(3)12-14-5-6-15-7-10-18-16(15)11-14/h5-6,11,18H,4,7-10,12-13H2,1-3H3.
What are the key properties of 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105421360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).