3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

C13H29N3O2 — CID 114537586

IUPAC3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCOC(OC)C(C)(CN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3O2/c1-10-7-16(8-11(2)15(10)4)13(3,9-14)12(17-5)18-6/h10-12H,7-9,14H2,1-6H3
InChIKeyQEKSECAFWXJUGA-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.35
Rot. Bonds5

About 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (PubChem CID 114537586) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
PubChem CID114537586
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCOC(OC)C(C)(CN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3O2/c1-10-7-16(8-11(2)15(10)4)13(3,9-14)12(17-5)18-6/h10-12H,7-9,14H2,1-6H3
InChIKeyQEKSECAFWXJUGA-UHFFFAOYSA-N
XLogP0.35
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 115559360
2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180437
2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66178856
2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66181213
2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537436
2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180628
2-ethyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537611
2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine
CID 79174956
2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180240
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine
CID 63605604
2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66178255

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (CID 114537586) is 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is COC(OC)C(C)(CN)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The InChIKey is QEKSECAFWXJUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-10-7-16(8-11(2)15(10)4)13(3,9-14)12(17-5)18-6/h10-12H,7-9,14H2,1-6H3.
What are the key properties of 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 114537586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).