2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

C15H31N3O — CID 62557540

IUPAC2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(C)(C)N1CCN(CCNCC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)18-10-8-17(9-11-18)7-6-16-13-14-5-4-12-19-14/h14,16H,4-13H2,1-3H3
InChIKeyDMPVFSZWAYNSJI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds5

About 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62557540) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62557540
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(C)(C)N1CCN(CCNCC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)18-10-8-17(9-11-18)7-6-16-13-14-5-4-12-19-14/h14,16H,4-13H2,1-3H3
InChIKeyDMPVFSZWAYNSJI-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 114196851
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62887699
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 62557540) is 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine is CC(C)(C)N1CCN(CCNCC2CCCO2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DMPVFSZWAYNSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,3)18-10-8-17(9-11-18)7-6-16-13-14-5-4-12-19-14/h14,16H,4-13H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62557540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).