3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine

C15H33N3 — CID 64935199

IUPAC3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC1CNC(C(C)(C)C)CN1CCCN(C)C
InChIInChI=1S/C15H33N3/c1-7-13-11-16-14(15(2,3)4)12-18(13)10-8-9-17(5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyDRRQHWFLQCODOL-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds5

About 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine

3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 64935199) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID64935199
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC1CNC(C(C)(C)C)CN1CCCN(C)C
InChIInChI=1S/C15H33N3/c1-7-13-11-16-14(15(2,3)4)12-18(13)10-8-9-17(5)6/h13-14,16H,7-12H2,1-6H3
InChIKeyDRRQHWFLQCODOL-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine (CID 64935199) is 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine is CCC1CNC(C(C)(C)C)CN1CCCN(C)C.
What is the InChIKey of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is DRRQHWFLQCODOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-7-13-11-16-14(15(2,3)4)12-18(13)10-8-9-17(5)6/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine?
3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 64935199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).