2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine

C15H31N3O — CID 79927254

IUPAC2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine
SMILESCN1CCN(CCNC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-14(2)12-13(15(3,4)19-14)16-6-7-18-10-8-17(5)9-11-18/h13,16H,6-12H2,1-5H3
InChIKeyGYWYGPUDOSIGIY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine (PubChem CID 79927254) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine
PubChem CID79927254
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine
SMILESCN1CCN(CCNC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-14(2)12-13(15(3,4)19-14)16-6-7-18-10-8-17(5)9-11-18/h13,16H,6-12H2,1-5H3
InChIKeyGYWYGPUDOSIGIY-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine (CID 79927254) is 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine is CN1CCN(CCNC2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine?
The InChIKey is GYWYGPUDOSIGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2)12-13(15(3,4)19-14)16-6-7-18-10-8-17(5)9-11-18/h13,16H,6-12H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 79927254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).