2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine

C12H27N3O — CID 106450826

IUPAC2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
SMILESCC(C)COCCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3O/c1-12(2)11-16-10-9-15-7-5-14(4-3-13)6-8-15/h12H,3-11,13H2,1-2H3
InChIKeyJORMUZMAFLWJPB-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.24
Rot. Bonds7

About 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine

2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine (PubChem CID 106450826) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
PubChem CID106450826
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
SMILESCC(C)COCCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3O/c1-12(2)11-16-10-9-15-7-5-14(4-3-13)6-8-15/h12H,3-11,13H2,1-2H3
InChIKeyJORMUZMAFLWJPB-UHFFFAOYSA-N
XLogP0.24
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.24
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

1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 106457754
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457766
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
4-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]aniline
CID 106453577
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106838360
N,4-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperidin-4-amine
CID 106455102
4-(fluoromethyl)-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 177032197
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]pentanethioamide
CID 106452837
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455019

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine (CID 106450826) is 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine is CC(C)COCCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine?
The InChIKey is JORMUZMAFLWJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(2)11-16-10-9-15-7-5-14(4-3-13)6-8-15/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine?
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 106450826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).