[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine

C13H29N3O3 — CID 104565227

IUPAC[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCOCCOCCOCCN1CCN(C)CC1CN
InChIInChI=1S/C13H29N3O3/c1-15-3-4-16(13(11-14)12-15)5-6-18-9-10-19-8-7-17-2/h13H,3-12,14H2,1-2H3
InChIKeyJRHFXADFNONKRX-UHFFFAOYSA-N
MW275.39 g/mol
LogP-0.76
Rot. Bonds10

About [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 104565227) has the molecular formula C13H29N3O3 and a molecular weight of 275.39 g/mol. Its IUPAC name is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID104565227
Molecular FormulaC13H29N3O3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCOCCOCCOCCN1CCN(C)CC1CN
InChIInChI=1S/C13H29N3O3/c1-15-3-4-16(13(11-14)12-15)5-6-18-9-10-19-8-7-17-2/h13H,3-12,14H2,1-2H3
InChIKeyJRHFXADFNONKRX-UHFFFAOYSA-N
XLogP-0.76
TPSA60.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
CID 80506811
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
[4-methyl-1-[2-(4-methylphenoxy)ethyl]piperazin-2-yl]methanamine
CID 80506155
tert-butyl 3-(aminomethyl)-4-[3-(2-methoxyethoxy)propyl]piperazine-1-carboxylate
CID 103409239
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine
CID 80505748
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
CID 107008055
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
methyl 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzoate
CID 80505658
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409514

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine (CID 104565227) is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine is COCCOCCOCCN1CCN(C)CC1CN.
What is the InChIKey of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is JRHFXADFNONKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3/c1-15-3-4-16(13(11-14)12-15)5-6-18-9-10-19-8-7-17-2/h13H,3-12,14H2,1-2H3.
What are the key properties of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine?
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 275.39 g/mol, XLogP of -0.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 104565227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).