2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen

C19H46N4O2 — CID 166461322

IUPAC2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCCCNCCOCCN1CCN(CCOCCNCC(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C19H42N4O2.2H2/c1-4-5-20-6-14-24-16-12-22-8-10-23(11-9-22)13-17-25-15-7-21-18-19(2)3;;/h19-21H,4-18H2,1-3H3;2*1H
InChIKeyJSLAYTDVTBPXQG-UHFFFAOYSA-N
MW362.60 g/mol
LogP1.37
Rot. Bonds16

About 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen

2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen (PubChem CID 166461322) has the molecular formula C19H46N4O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
PubChem CID166461322
Molecular FormulaC19H46N4O2
Molecular Weight362.60 g/mol
Exact Mass362.36
IUPAC Name2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCCCNCCOCCN1CCN(CCOCCNCC(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C19H42N4O2.2H2/c1-4-5-20-6-14-24-16-12-22-8-10-23(11-9-22)13-17-25-15-7-21-18-19(2)3;;/h19-21H,4-18H2,1-3H3;2*1H
InChIKeyJSLAYTDVTBPXQG-UHFFFAOYSA-N
XLogP1.37
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen with MolForge

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Related Compounds

Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
1-(2-Propoxyethyl)piperazine
CID 2760475
Methyl[2-methyl-1-(morpholin-4-yl)propan-2-yl]amine
CID 59535411
[2-(2,2-Dimethylmorpholin-4-yl)ethyl](methyl)amine
CID 43592958
N-Isobutyl-N-(2-morpholin-4-ylethyl)amine
CID 4712326
2-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 83819744
4-(2-Methylpropyl)morpholin-4-ium
CID 7269393
N-(2-morpholin-4-ylethyl)propan-1-amine
CID 12077347
1-[2-(2-Methylpropoxy)ethyl]piperazine
CID 20094571
N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine
CID 20641944
1-[2-(3-Methylbutoxy)ethyl]piperazine
CID 20811786
N-(2-methoxyethyl)-2-morpholinoethylamine
CID 23116487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen (CID 166461322) is 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen is CCCNCCOCCN1CCN(CCOCCNCC(C)C)CC1.[H][H].[H][H].
What is the InChIKey of 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The InChIKey is JSLAYTDVTBPXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N4O2.2H2/c1-4-5-20-6-14-24-16-12-22-8-10-23(11-9-22)13-17-25-15-7-21-18-19(2)3;;/h19-21H,4-18H2,1-3H3;2*1H.
What are the key properties of 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen has a molecular weight of 362.60 g/mol, XLogP of 1.37, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 166461322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).