2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine

C17H33N3O — CID 102896442

IUPAC2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C17H33N3O/c1-15(12-18)13-19-8-10-20(11-9-19)14-16-4-7-17(21-16)5-2-3-6-17/h15-16H,2-14,18H2,1H3
InChIKeyWGHLCZAWHTWDDA-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.69
Rot. Bonds5

About 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine

2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine (PubChem CID 102896442) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine
PubChem CID102896442
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C17H33N3O/c1-15(12-18)13-19-8-10-20(11-9-19)14-16-4-7-17(21-16)5-2-3-6-17/h15-16H,2-14,18H2,1H3
InChIKeyWGHLCZAWHTWDDA-UHFFFAOYSA-N
XLogP1.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine (CID 102896442) is 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine is CC(CN)CN1CCN(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is WGHLCZAWHTWDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(12-18)13-19-8-10-20(11-9-19)14-16-4-7-17(21-16)5-2-3-6-17/h15-16H,2-14,18H2,1H3.
What are the key properties of 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 102896442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).