N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine

C13H27N3O — CID 83008949

IUPACN-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine
SMILESCCC1(C)CC(NN2CCN(C)CC2)CCO1
InChIInChI=1S/C13H27N3O/c1-4-13(2)11-12(5-10-17-13)14-16-8-6-15(3)7-9-16/h12,14H,4-11H2,1-3H3
InChIKeyWFCZPDURQXSUKE-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.09
Rot. Bonds3

About N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine

N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine (PubChem CID 83008949) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine
PubChem CID83008949
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine
SMILESCCC1(C)CC(NN2CCN(C)CC2)CCO1
InChIInChI=1S/C13H27N3O/c1-4-13(2)11-12(5-10-17-13)14-16-8-6-15(3)7-9-16/h12,14H,4-11H2,1-3H3
InChIKeyWFCZPDURQXSUKE-UHFFFAOYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]oxan-4-amine
CID 64097570
2-ethyl-2-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]oxan-4-amine
CID 64100387
[2-Ethyl-2-methyl-4-(2-methylpiperidin-1-yl)oxan-4-yl]methanamine
CID 64100913
2-ethyl-2-methyl-N-(2-piperidin-1-ylpropyl)oxan-4-amine
CID 64101020
2-ethyl-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)oxan-4-amine
CID 64101777
2-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]oxan-4-amine
CID 64102042
2-ethyl-2-methyl-N-(2-piperidin-1-ylethyl)oxan-4-amine
CID 64102055
2-ethyl-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]oxan-4-amine
CID 64102061
1-ethyl-N-(2-ethyl-2-methyloxan-4-yl)piperidin-3-amine
CID 64102236
N-(2-ethyl-2-methyloxan-4-yl)-1-methylpiperidin-3-amine
CID 64102237
2-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]oxan-4-amine
CID 64103017
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-2-methyloxan-4-amine
CID 64103106

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine (CID 83008949) is N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine is CCC1(C)CC(NN2CCN(C)CC2)CCO1.
What is the InChIKey of N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine?
The InChIKey is WFCZPDURQXSUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-13(2)11-12(5-10-17-13)14-16-8-6-15(3)7-9-16/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine?
N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine has a molecular weight of 241.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methyloxan-4-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83008949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).