5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine

C17H37NO4 — CID 167143276

IUPAC5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine
SMILESCOCCCCCN(CCCCCOC)CCOCCOC
InChIInChI=1S/C17H37NO4/c1-19-13-8-4-6-10-18(11-7-5-9-14-20-2)12-15-22-17-16-21-3/h4-17H2,1-3H3
InChIKeyCWRBHLOJQBNTKR-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.58
Rot. Bonds18

About 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine

5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine (PubChem CID 167143276) has the molecular formula C17H37NO4 and a molecular weight of 319.49 g/mol. Its IUPAC name is 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine
PubChem CID167143276
Molecular FormulaC17H37NO4
Molecular Weight319.49 g/mol
Exact Mass319.27
IUPAC Name5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine
SMILESCOCCCCCN(CCCCCOC)CCOCCOC
InChIInChI=1S/C17H37NO4/c1-19-13-8-4-6-10-18(11-7-5-9-14-20-2)12-15-22-17-16-21-3/h4-17H2,1-3H3
InChIKeyCWRBHLOJQBNTKR-UHFFFAOYSA-N
XLogP2.58
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

boranuide;2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;rubidium(1+)
CID 139243294
N-[2-[bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]-N',N'-bis[2-[2-[bis(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 140767739
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
1,8-bis(2-methoxyethoxy)octane
CID 143118909
N-(2-chloroethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 113427470
4-[4-heptoxybutyl(6-methoxyhexyl)amino]butan-1-ol
CID 170743336
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine?
The IUPAC name of 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine (CID 167143276) is 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine?
The canonical SMILES for 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine is COCCCCCN(CCCCCOC)CCOCCOC.
What is the InChIKey of 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine?
The InChIKey is CWRBHLOJQBNTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO4/c1-19-13-8-4-6-10-18(11-7-5-9-14-20-2)12-15-22-17-16-21-3/h4-17H2,1-3H3.
What are the key properties of 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine?
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine has a molecular weight of 319.49 g/mol, XLogP of 2.58, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine is sourced from PubChem (CID 167143276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).