7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C15H29N3O2 — CID 114537727

IUPAC7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CN(C2CC3(CCC2N)OCCO3)CC(C)N1C
InChIInChI=1S/C15H29N3O2/c1-11-9-18(10-12(2)17(11)3)14-8-15(5-4-13(14)16)19-6-7-20-15/h11-14H,4-10,16H2,1-3H3
InChIKeyNPHGWOMVQZWBQY-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.63
Rot. Bonds1

About 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 114537727) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID114537727
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1CN(C2CC3(CCC2N)OCCO3)CC(C)N1C
InChIInChI=1S/C15H29N3O2/c1-11-9-18(10-12(2)17(11)3)14-8-15(5-4-13(14)16)19-6-7-20-15/h11-14H,4-10,16H2,1-3H3
InChIKeyNPHGWOMVQZWBQY-UHFFFAOYSA-N
XLogP0.63
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 104958510
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891
7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43211400
7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62090199
7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62200558
2-(3,4,5-trimethylpiperazin-1-yl)cycloheptan-1-amine
CID 114537803
7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79183815
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 79188144
4-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537762
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43628167
(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 87436012

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 114537727) is 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CC1CN(C2CC3(CCC2N)OCCO3)CC(C)N1C.
What is the InChIKey of 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NPHGWOMVQZWBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11-9-18(10-12(2)17(11)3)14-8-15(5-4-13(14)16)19-6-7-20-15/h11-14H,4-10,16H2,1-3H3.
What are the key properties of 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 283.42 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 114537727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).