N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C15H31N3O — CID 63620007

IUPACN-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCCC1CN(CCNC(C)C2CCCO2)CCN1C
InChIInChI=1S/C15H31N3O/c1-4-14-12-18(10-9-17(14)3)8-7-16-13(2)15-6-5-11-19-15/h13-16H,4-12H2,1-3H3
InChIKeySIXBMNURRSBVHJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 63620007) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID63620007
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCCC1CN(CCNC(C)C2CCCO2)CCN1C
InChIInChI=1S/C15H31N3O/c1-4-14-12-18(10-9-17(14)3)8-7-16-13(2)15-6-5-11-19-15/h13-16H,4-12H2,1-3H3
InChIKeySIXBMNURRSBVHJ-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
CID 66474133
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62967083
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881
5-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpentan-2-amine
CID 63608601
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one
CID 79887312
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
1-cyclopropyl-N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]ethanamine
CID 63621690

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 63620007) is N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is CCC1CN(CCNC(C)C2CCCO2)CCN1C.
What is the InChIKey of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is SIXBMNURRSBVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-14-12-18(10-9-17(14)3)8-7-16-13(2)15-6-5-11-19-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63620007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).