N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

C15H33N3O — CID 63621704

IUPACN-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCCCOCCNCCN1CCN(C)C(CC)C1
InChIInChI=1S/C15H33N3O/c1-4-6-12-19-13-8-16-7-9-18-11-10-17(3)15(5-2)14-18/h15-16H,4-14H2,1-3H3
InChIKeyHCPCHHZGWYWQIY-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds10

About N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine

N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (PubChem CID 63621704) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
PubChem CID63621704
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
SMILESCCCCOCCNCCN1CCN(C)C(CC)C1
InChIInChI=1S/C15H33N3O/c1-4-6-12-19-13-8-16-7-9-18-11-10-17(3)15(5-2)14-18/h15-16H,4-14H2,1-3H3
InChIKeyHCPCHHZGWYWQIY-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619835
N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216424
N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
N-(2-butoxyethyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62575904
N-(2-butoxyethyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81194356
N-(2-butoxyethyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 62574260
2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 63620338
N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554738
N-(2-butoxyethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
CID 62558581
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine (CID 63621704) is N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is CCCCOCCNCCN1CCN(C)C(CC)C1.
What is the InChIKey of N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
The InChIKey is HCPCHHZGWYWQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-6-12-19-13-8-16-7-9-18-11-10-17(3)15(5-2)14-18/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine?
N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63621704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).