4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane

C21H32N4 — CID 56747101

IUPAC4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
SMILESCCn1ccc2ccc(CN3CCN(C)C4(CCN(C)CC4)C3)cc21
InChIInChI=1S/C21H32N4/c1-4-25-10-7-19-6-5-18(15-20(19)25)16-24-14-13-23(3)21(17-24)8-11-22(2)12-9-21/h5-7,10,15H,4,8-9,11-14,16-17H2,1-3H3
InChIKeyAWODRUQGPMWPPD-UHFFFAOYSA-N
MW340.52 g/mol
LogP2.87
Rot. Bonds3

About 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane

4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane (PubChem CID 56747101) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
PubChem CID56747101
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
SMILESCCn1ccc2ccc(CN3CCN(C)C4(CCN(C)CC4)C3)cc21
InChIInChI=1S/C21H32N4/c1-4-25-10-7-19-6-5-18(15-20(19)25)16-24-14-13-23(3)21(17-24)8-11-22(2)12-9-21/h5-7,10,15H,4,8-9,11-14,16-17H2,1-3H3
InChIKeyAWODRUQGPMWPPD-UHFFFAOYSA-N
XLogP2.87
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane with MolForge

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Related Compounds

1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70762800
4-[(1-ethylindol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70712472
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170863995
6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56917221
1-[2-[(1-ethylindol-6-yl)methyl]-5-oxo-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
CID 118898021
7-[1-[(1-ethylindol-6-yl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471481
(6S)-1,10-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132062
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
1,10-dimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845317
4-[(4-tert-butylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759678
1,9-dimethyl-4-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56743242
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70775733

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane (CID 56747101) is 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane is CCn1ccc2ccc(CN3CCN(C)C4(CCN(C)CC4)C3)cc21.
What is the InChIKey of 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is AWODRUQGPMWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-4-25-10-7-19-6-5-18(15-20(19)25)16-24-14-13-23(3)21(17-24)8-11-22(2)12-9-21/h5-7,10,15H,4,8-9,11-14,16-17H2,1-3H3.
What are the key properties of 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane?
4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 340.52 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 56747101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).