N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C16H31N3O2 — CID 79900174

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN1CCN(C)C(CNC2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C16H31N3O2/c1-18-6-7-19(2)15(13-18)12-17-14-3-8-21-16(11-14)4-9-20-10-5-16/h14-15,17H,3-13H2,1-2H3
InChIKeyGQGMOYKEVXRESE-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.55
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79900174) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79900174
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCN1CCN(C)C(CNC2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C16H31N3O2/c1-18-6-7-19(2)15(13-18)12-17-14-3-8-21-16(11-14)4-9-20-10-5-16/h14-15,17H,3-13H2,1-2H3
InChIKeyGQGMOYKEVXRESE-UHFFFAOYSA-N
XLogP0.55
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 106025437
N-[(4-methylmorpholin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903156
N-[(1,1-dioxothiolan-3-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895783
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 115894817
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine
CID 63896493
N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895751
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
N-(thian-2-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 80600127
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79900174) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is CN1CCN(C)C(CNC2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is GQGMOYKEVXRESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18-6-7-19(2)15(13-18)12-17-14-3-8-21-16(11-14)4-9-20-10-5-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 297.44 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79900174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).