N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine

C15H31N3O — CID 63741871

IUPACN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(CC)CC2)CCCOC1
InChIInChI=1S/C15H31N3O/c1-3-16-12-15(6-5-11-19-14-15)13-18-9-7-17(4-2)8-10-18/h16H,3-14H2,1-2H3
InChIKeyLPJCCPFILLSCCX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine

N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine (PubChem CID 63741871) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
PubChem CID63741871
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(CC)CC2)CCCOC1
InChIInChI=1S/C15H31N3O/c1-3-16-12-15(6-5-11-19-14-15)13-18-9-7-17(4-2)8-10-18/h16H,3-14H2,1-2H3
InChIKeyLPJCCPFILLSCCX-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine (CID 63741871) is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine is CCNCC1(CN2CCN(CC)CC2)CCCOC1.
What is the InChIKey of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The InChIKey is LPJCCPFILLSCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-16-12-15(6-5-11-19-14-15)13-18-9-7-17(4-2)8-10-18/h16H,3-14H2,1-2H3.
What are the key properties of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63741871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).