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

C16H31N3O2 — CID 63608607

IUPACN-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1N1CCN(C)C(C)(C)C1)OCCO2
InChIInChI=1S/C16H31N3O2/c1-15(2)12-19(8-7-18(15)4)14-11-16(20-9-10-21-16)6-5-13(14)17-3/h13-14,17H,5-12H2,1-4H3
InChIKeyXBXNQTWAAZPPJW-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.90
Rot. Bonds2

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

N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 63608607) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID63608607
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1N1CCN(C)C(C)(C)C1)OCCO2
InChIInChI=1S/C16H31N3O2/c1-15(2)12-19(8-7-18(15)4)14-11-16(20-9-10-21-16)6-5-13(14)17-3/h13-14,17H,5-12H2,1-4H3
InChIKeyXBXNQTWAAZPPJW-UHFFFAOYSA-N
XLogP0.90
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-propan-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 63610527
7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62123551
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine
CID 63610196
7-N,8-N-dimethyl-7-N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine
CID 63206528
7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43211400
trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734745
7-ethylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64646772
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 115559480
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64674104
[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79633660
N-[[2-(3,3,4-trimethylpiperazin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80999932

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 63608607) is N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1N1CCN(C)C(C)(C)C1)OCCO2.
What is the InChIKey of N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is XBXNQTWAAZPPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-15(2)12-19(8-7-18(15)4)14-11-16(20-9-10-21-16)6-5-13(14)17-3/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 297.44 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(3,3,4-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 63608607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).