2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine

C12H27N3O — CID 63604012

IUPAC2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
SMILESCCOC(CN)CN1CCN(CC)C(C)C1
InChIInChI=1S/C12H27N3O/c1-4-15-7-6-14(9-11(15)3)10-12(8-13)16-5-2/h11-12H,4-10,13H2,1-3H3
InChIKeyVHFWZVOGVZWADB-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds6

About 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine

2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine (PubChem CID 63604012) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
PubChem CID63604012
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
SMILESCCOC(CN)CN1CCN(CC)C(C)C1
InChIInChI=1S/C12H27N3O/c1-4-15-7-6-14(9-11(15)3)10-12(8-13)16-5-2/h11-12H,4-10,13H2,1-3H3
InChIKeyVHFWZVOGVZWADB-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine (CID 63604012) is 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine is CCOC(CN)CN1CCN(CC)C(C)C1.
What is the InChIKey of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is VHFWZVOGVZWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-15-7-6-14(9-11(15)3)10-12(8-13)16-5-2/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine?
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 63604012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).