N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine

C12H27N3O — CID 82891726

IUPACN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-12(2)13-4-10-16-11-9-15-7-5-14(3)6-8-15/h12-13H,4-11H2,1-3H3
InChIKeyPBBZDBFETNHEEH-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds7

About N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine

N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine (PubChem CID 82891726) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
PubChem CID82891726
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-12(2)13-4-10-16-11-9-15-7-5-14(3)6-8-15/h12-13H,4-11H2,1-3H3
InChIKeyPBBZDBFETNHEEH-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 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 ≤ 50.25
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

5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
CID 176581495
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine
CID 134579953
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
1-[4-[[4-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
CID 176577635
ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
CID 142616304
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 155439428
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine (CID 82891726) is N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCN1CCN(C)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine?
The InChIKey is PBBZDBFETNHEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(2)13-4-10-16-11-9-15-7-5-14(3)6-8-15/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 82891726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).