N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

C17H37NO4 — CID 178164668

IUPACN-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCOCCC(C)CC
InChIInChI=1S/C17H37NO4/c1-4-7-18-8-10-20-12-14-22-16-15-21-13-11-19-9-6-17(3)5-2/h17-18H,4-16H2,1-3H3
InChIKeyBPEANJBCFXLPFM-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.49
Rot. Bonds18

About N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 178164668) has the molecular formula C17H37NO4 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID178164668
Molecular FormulaC17H37NO4
Molecular Weight319.49 g/mol
Exact Mass319.27
IUPAC NameN-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCOCCC(C)CC
InChIInChI=1S/C17H37NO4/c1-4-7-18-8-10-20-12-14-22-16-15-21-13-11-19-9-6-17(3)5-2/h17-18H,4-16H2,1-3H3
InChIKeyBPEANJBCFXLPFM-UHFFFAOYSA-N
XLogP2.49
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.49
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

3-methyl-1-propoxypentane
CID 123388243
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
(3R)-1-(2-fluoroethoxy)-3-methylpentane
CID 130394752
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (CID 178164668) is N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is CCCNCCOCCOCCOCCOCCC(C)CC.
What is the InChIKey of N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is BPEANJBCFXLPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO4/c1-4-7-18-8-10-20-12-14-22-16-15-21-13-11-19-9-6-17(3)5-2/h17-18H,4-16H2,1-3H3.
What are the key properties of N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 319.49 g/mol, XLogP of 2.49, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 178164668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).