N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine

C12H27N3O — CID 166151976

IUPACN-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
SMILESCCCOCCN1CCN(CCNC)CC1
InChIInChI=1S/C12H27N3O/c1-3-11-16-12-10-15-8-6-14(7-9-15)5-4-13-2/h13H,3-12H2,1-2H3
InChIKeyJVTOESNWANEWDX-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds8

About N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine

N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine (PubChem CID 166151976) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
PubChem CID166151976
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
SMILESCCCOCCN1CCN(CCNC)CC1
InChIInChI=1S/C12H27N3O/c1-3-11-16-12-10-15-8-6-14(7-9-15)5-4-13-2/h13H,3-12H2,1-2H3
InChIKeyJVTOESNWANEWDX-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
CID 142367989
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670
N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine (CID 166151976) is N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine is CCCOCCN1CCN(CCNC)CC1.
What is the InChIKey of N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine?
The InChIKey is JVTOESNWANEWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-11-16-12-10-15-8-6-14(7-9-15)5-4-13-2/h13H,3-12H2,1-2H3.
What are the key properties of N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine?
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 166151976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).