2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone

C22H36N4O — CID 56758184

IUPAC2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(C(=O)N1CCCN(C)C2(CCN(C)CC2)C1)N(C)C
InChIInChI=1S/C22H36N4O/c1-18-9-6-7-10-19(18)20(23(2)3)21(27)26-14-8-13-25(5)22(17-26)11-15-24(4)16-12-22/h6-7,9-10,20H,8,11-17H2,1-5H3
InChIKeyFXDJXMSBVAJQHM-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.23
Rot. Bonds3

About 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone

2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone (PubChem CID 56758184) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone
PubChem CID56758184
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(C(=O)N1CCCN(C)C2(CCN(C)CC2)C1)N(C)C
InChIInChI=1S/C22H36N4O/c1-18-9-6-7-10-19(18)20(23(2)3)21(27)26-14-8-13-25(5)22(17-26)11-15-24(4)16-12-22/h6-7,9-10,20H,8,11-17H2,1-5H3
InChIKeyFXDJXMSBVAJQHM-UHFFFAOYSA-N
XLogP2.23
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone with MolForge

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Related Compounds

2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
2-(dimethylamino)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 72865250
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
5-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97282767
ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 45223738
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(3-pyridin-3-ylazetidin-1-yl)ethanone
CID 97278574
(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97285815

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone (CID 56758184) is 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1C(C(=O)N1CCCN(C)C2(CCN(C)CC2)C1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is FXDJXMSBVAJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-18-9-6-7-10-19(18)20(23(2)3)21(27)26-14-8-13-25(5)22(17-26)11-15-24(4)16-12-22/h6-7,9-10,20H,8,11-17H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone?
2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 372.56 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 56758184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).