4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine

C13H29NO3 — CID 43147222

IUPAC4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
SMILESCOCCOCCCNC(C)CC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-12(11-13(2,3)16-5)14-7-6-8-17-10-9-15-4/h12,14H,6-11H2,1-5H3
InChIKeyYQNTUYJSEDDWNT-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.83
Rot. Bonds11

About 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine

4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine (PubChem CID 43147222) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
PubChem CID43147222
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
SMILESCOCCOCCCNC(C)CC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-12(11-13(2,3)16-5)14-7-6-8-17-10-9-15-4/h12,14H,6-11H2,1-5H3
InChIKeyYQNTUYJSEDDWNT-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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

N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
4-bromo-N-[3-(2-methoxyethoxy)propyl]pentan-2-amine
CID 103413145
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine?
The IUPAC name of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine (CID 43147222) is 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine.
What is the SMILES notation for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine?
The canonical SMILES for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine is COCCOCCCNC(C)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine?
The InChIKey is YQNTUYJSEDDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-12(11-13(2,3)16-5)14-7-6-8-17-10-9-15-4/h12,14H,6-11H2,1-5H3.
What are the key properties of 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine?
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 1.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43147222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).