N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine

C13H29NO3 — CID 103406214

IUPACN-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
SMILESCCNCCCC(C)OCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-4-14-8-5-7-13(2)17-10-6-9-16-12-11-15-3/h13-14H,4-12H2,1-3H3
InChIKeyAWYCWYQXIPQPAK-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds13

About N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine

N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine (PubChem CID 103406214) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
PubChem CID103406214
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC NameN-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
SMILESCCNCCCC(C)OCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-4-14-8-5-7-13(2)17-10-6-9-16-12-11-15-3/h13-14H,4-12H2,1-3H3
InChIKeyAWYCWYQXIPQPAK-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
N-ethyl-4-prop-2-enoxypentan-1-amine
CID 62442488
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
CID 115001737
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
CID 104567163

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine?
The IUPAC name of N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine (CID 103406214) is N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine?
The canonical SMILES for N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine is CCNCCCC(C)OCCCOCCOC.
What is the InChIKey of N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine?
The InChIKey is AWYCWYQXIPQPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-14-8-5-7-13(2)17-10-6-9-16-12-11-15-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine?
N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine is sourced from PubChem (CID 103406214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).