5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine

C15H33NO4 — CID 104566618

IUPAC5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
SMILESCOCCOCCOCCOCCCCCNC(C)C
InChIInChI=1S/C15H33NO4/c1-15(2)16-7-5-4-6-8-18-11-12-20-14-13-19-10-9-17-3/h15-16H,4-14H2,1-3H3
InChIKeyHMZXHJPEJKUOIY-UHFFFAOYSA-N
MW291.43 g/mol
LogP1.85
Rot. Bonds16

About 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine (PubChem CID 104566618) has the molecular formula C15H33NO4 and a molecular weight of 291.43 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
PubChem CID104566618
Molecular FormulaC15H33NO4
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
SMILESCOCCOCCOCCOCCCCCNC(C)C
InChIInChI=1S/C15H33NO4/c1-15(2)16-7-5-4-6-8-18-11-12-20-14-13-19-10-9-17-3/h15-16H,4-14H2,1-3H3
InChIKeyHMZXHJPEJKUOIY-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N-[4-(2-methoxyethoxy)butyl]pentan-3-amine
CID 115715449
1,8-bis(2-methoxyethoxy)octane
CID 143118909
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113260923
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine (CID 104566618) is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine is COCCOCCOCCOCCCCCNC(C)C.
What is the InChIKey of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine?
The InChIKey is HMZXHJPEJKUOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4/c1-15(2)16-7-5-4-6-8-18-11-12-20-14-13-19-10-9-17-3/h15-16H,4-14H2,1-3H3.
What are the key properties of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine?
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 1.85, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 104566618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).