N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

C14H31N3O — CID 55216424

IUPACN-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCCCCOCCNCCN1CCN(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-4-5-11-18-12-7-15-6-8-17-10-9-16(3)14(2)13-17/h14-15H,4-13H2,1-3H3
InChIKeyCNMUKWABUMBXAU-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds9

About N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 55216424) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID55216424
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCCCCOCCNCCN1CCN(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-4-5-11-18-12-7-15-6-8-17-10-9-16(3)14(2)13-17/h14-15H,4-13H2,1-3H3
InChIKeyCNMUKWABUMBXAU-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
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

2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 63620338
N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63621704
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
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
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809
N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554738
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (CID 55216424) is N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is CCCCOCCNCCN1CCN(C)C(C)C1.
What is the InChIKey of N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is CNMUKWABUMBXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-5-11-18-12-7-15-6-8-17-10-9-16(3)14(2)13-17/h14-15H,4-13H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 55216424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).