N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine

C11H23N3O2 — CID 106658959

IUPACN-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2COC(C)(C)OC2)CC1
InChIInChI=1S/C11H23N3O2/c1-11(2)15-8-10(9-16-11)12-14-6-4-13(3)5-7-14/h10,12H,4-9H2,1-3H3
InChIKeyMFKCAUKBSCIXOC-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.11
Rot. Bonds2

About N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine

N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine (PubChem CID 106658959) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine
PubChem CID106658959
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2COC(C)(C)OC2)CC1
InChIInChI=1S/C11H23N3O2/c1-11(2)15-8-10(9-16-11)12-14-6-4-13(3)5-7-14/h10,12H,4-9H2,1-3H3
InChIKeyMFKCAUKBSCIXOC-UHFFFAOYSA-N
XLogP-0.11
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-bis(2,2-dimethyl-1,3-dioxan-5-yl)ethane-1,2-diamine
CID 9947881
N-(1,1-dimethoxypropan-2-yl)-4-methylpiperazin-1-amine
CID 83008942
N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
CID 83021019
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-dioxan-5-amine
CID 106658055
2,2-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3-dioxan-5-amine
CID 106658227
2-(2,2-Dimethyl-1,3-dioxan-5-yl)-1,1-dimethylhydrazine
CID 106658957
N-(2,2-dimethyl-1,3-dioxan-5-yl)piperidin-1-amine
CID 106658958
N-(2,2-dimethyl-1,3-dioxan-5-yl)morpholin-4-amine
CID 106658960
2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxan-5-amine
CID 113861130
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,6-dimethylpiperidin-1-amine
CID 113861199

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine (CID 106658959) is N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine is CN1CCN(NC2COC(C)(C)OC2)CC1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine?
The InChIKey is MFKCAUKBSCIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2)15-8-10(9-16-11)12-14-6-4-13(3)5-7-14/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine?
N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine has a molecular weight of 229.32 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dioxan-5-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 106658959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).