[3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

C17H35N3O — CID 79911679

IUPAC[3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN(C(C)(C)C)CC2)C(C)(C)O1
InChIInChI=1S/C17H35N3O/c1-14(2,3)19-8-10-20(11-9-19)17(13-18)12-15(4,5)21-16(17,6)7/h8-13,18H2,1-7H3
InChIKeyQTRFJIZHXACVLJ-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.08
Rot. Bonds2

About [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

[3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (PubChem CID 79911679) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
PubChem CID79911679
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name[3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN(C(C)(C)C)CC2)C(C)(C)O1
InChIInChI=1S/C17H35N3O/c1-14(2,3)19-8-10-20(11-9-19)17(13-18)12-15(4,5)21-16(17,6)7/h8-13,18H2,1-7H3
InChIKeyQTRFJIZHXACVLJ-UHFFFAOYSA-N
XLogP2.08
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The IUPAC name of [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (CID 79911679) is [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is CC1(C)CC(CN)(N2CCN(C(C)(C)C)CC2)C(C)(C)O1.
What is the InChIKey of [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The InChIKey is QTRFJIZHXACVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2,3)19-8-10-20(11-9-19)17(13-18)12-15(4,5)21-16(17,6)7/h8-13,18H2,1-7H3.
What are the key properties of [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
[3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine has a molecular weight of 297.49 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylpiperazin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is sourced from PubChem (CID 79911679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).