2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine

C17H33N3O — CID 79901324

IUPAC2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H33N3O/c1-15(14-18)19-8-10-20(11-9-19)16-5-12-21-17(13-16)6-3-2-4-7-17/h15-16H,2-14,18H2,1H3
InChIKeyILMVJWHVMDOCDW-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.83
Rot. Bonds3

About 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine

2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine (PubChem CID 79901324) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
PubChem CID79901324
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H33N3O/c1-15(14-18)19-8-10-20(11-9-19)16-5-12-21-17(13-16)6-3-2-4-7-17/h15-16H,2-14,18H2,1H3
InChIKeyILMVJWHVMDOCDW-UHFFFAOYSA-N
XLogP1.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
CID 79897600
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile
CID 79903495
2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine
CID 107134608
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682
2-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propanenitrile
CID 79900815
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine (CID 79901324) is 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is ILMVJWHVMDOCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(14-18)19-8-10-20(11-9-19)16-5-12-21-17(13-16)6-3-2-4-7-17/h15-16H,2-14,18H2,1H3.
What are the key properties of 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine?
2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 79901324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).