2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

C12H27N3O2 — CID 66181213

IUPAC2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCN1CCN(C(C)(CN)C(OC)OC)CC1
InChIInChI=1S/C12H27N3O2/c1-5-14-6-8-15(9-7-14)12(2,10-13)11(16-3)17-4/h11H,5-10,13H2,1-4H3
InChIKeyBEKANRFUMJGPOA-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.04
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 66181213) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID66181213
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCN1CCN(C(C)(CN)C(OC)OC)CC1
InChIInChI=1S/C12H27N3O2/c1-5-14-6-8-15(9-7-14)12(2,10-13)11(16-3)17-4/h11H,5-10,13H2,1-4H3
InChIKeyBEKANRFUMJGPOA-UHFFFAOYSA-N
XLogP-0.04
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.04
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-(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)-2-methylpropan-1-amine
CID 9161367
2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180628
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 115559360
3-(4-ethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 134184518
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
1-ethyl-4-(2-iodopropan-2-yl)piperazine
CID 163586506
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (CID 66181213) is 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is CCN1CCN(C(C)(CN)C(OC)OC)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is BEKANRFUMJGPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-5-14-6-8-15(9-7-14)12(2,10-13)11(16-3)17-4/h11H,5-10,13H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 66181213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).