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

C16H33N3O — CID 79918461

IUPAC2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine
SMILESCN1CCN(CCCNC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2)13-14(16(3,4)20-15)17-7-6-8-19-11-9-18(5)10-12-19/h14,17H,6-13H2,1-5H3
InChIKeyFYAUEFVTSICTJH-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.56
Rot. Bonds5

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

2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine (PubChem CID 79918461) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine
PubChem CID79918461
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine
SMILESCN1CCN(CCCNC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2)13-14(16(3,4)20-15)17-7-6-8-19-11-9-18(5)10-12-19/h14,17H,6-13H2,1-5H3
InChIKeyFYAUEFVTSICTJH-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine (CID 79918461) is 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine is CN1CCN(CCCNC2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine?
The InChIKey is FYAUEFVTSICTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2)13-14(16(3,4)20-15)17-7-6-8-19-11-9-18(5)10-12-19/h14,17H,6-13H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine has a molecular weight of 283.46 g/mol, XLogP of 1.56, 5 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-[3-(4-methylpiperazin-1-yl)propyl]oxolan-3-amine is sourced from PubChem (CID 79918461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).