3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane

C21H35N3O3 — CID 56746498

IUPAC3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane
SMILESCOc1cc(OC)c(CN2CCCN(C)C3(CCN(C)CC3)C2)c(OC)c1
InChIInChI=1S/C21H35N3O3/c1-22-11-7-21(8-12-22)16-24(10-6-9-23(21)2)15-18-19(26-4)13-17(25-3)14-20(18)27-5/h13-14H,6-12,15-16H2,1-5H3
InChIKeyMORICTOIIATSDC-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.31
Rot. Bonds5

About 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane

3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 56746498) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane
PubChem CID56746498
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane
SMILESCOc1cc(OC)c(CN2CCCN(C)C3(CCN(C)CC3)C2)c(OC)c1
InChIInChI=1S/C21H35N3O3/c1-22-11-7-21(8-12-22)16-24(10-6-9-23(21)2)15-18-19(26-4)13-17(25-3)14-20(18)27-5/h13-14H,6-12,15-16H2,1-5H3
InChIKeyMORICTOIIATSDC-UHFFFAOYSA-N
XLogP2.31
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane with MolForge

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Related Compounds

11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 131925926
11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56757492
3,5-dimethoxy-2-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)benzoic acid
CID 74232607
1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046096
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
CID 166722775
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
(6R)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100905563
2-[(4-ethyl-3,3-dimethylpiperazin-1-yl)methyl]-3,5-dimethoxybenzoic acid
CID 74248498
2-sulfanylidene-6-[(2,4,6-trimethoxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24924531
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
2-[[3-[(2-hydroxy-3,5-dimethoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-4,6-dimethoxyphenol
CID 67916657
4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56740560

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane (CID 56746498) is 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane is COc1cc(OC)c(CN2CCCN(C)C3(CCN(C)CC3)C2)c(OC)c1.
What is the InChIKey of 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is MORICTOIIATSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-22-11-7-21(8-12-22)16-24(10-6-9-23(21)2)15-18-19(26-4)13-17(25-3)14-20(18)27-5/h13-14H,6-12,15-16H2,1-5H3.
What are the key properties of 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane?
3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 377.53 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 56746498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).