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

C17H42N4O2 — CID 163400181

IUPAC2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCNCCOCCN1CCN(CCOCCNCC(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C17H38N4O2.2H2/c1-17(2)16-19-5-13-23-15-11-21-8-6-20(7-9-21)10-14-22-12-4-18-3;;/h17-19H,4-16H2,1-3H3;2*1H
InChIKeySJAVWGHOCHSPNF-UHFFFAOYSA-N
MW334.55 g/mol
LogP0.59
Rot. Bonds14

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

2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen (PubChem CID 163400181) has the molecular formula C17H42N4O2 and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
PubChem CID163400181
Molecular FormulaC17H42N4O2
Molecular Weight334.55 g/mol
Exact Mass334.33
IUPAC Name2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
SMILESCNCCOCCN1CCN(CCOCCNCC(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C17H38N4O2.2H2/c1-17(2)16-19-5-13-23-15-11-21-8-6-20(7-9-21)10-14-22-12-4-18-3;;/h17-19H,4-16H2,1-3H3;2*1H
InChIKeySJAVWGHOCHSPNF-UHFFFAOYSA-N
XLogP0.59
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen (CID 163400181) is 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)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-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen is CNCCOCCN1CCN(CCOCCNCC(C)C)CC1.[H][H].[H][H].
What is the InChIKey of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
The InChIKey is SJAVWGHOCHSPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O2.2H2/c1-17(2)16-19-5-13-23-15-11-21-8-6-20(7-9-21)10-14-22-12-4-18-3;;/h17-19H,4-16H2,1-3H3;2*1H.
What are the key properties of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen?
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen has a molecular weight of 334.55 g/mol, XLogP of 0.59, 14 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-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 163400181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).