2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine

C14H31NO3 — CID 103406315

IUPAC2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCCOCCCOC(CNC(C)C)C(C)C
InChIInChI=1S/C14H31NO3/c1-12(2)14(11-15-13(3)4)18-8-6-7-17-10-9-16-5/h12-15H,6-11H2,1-5H3
InChIKeyQUNKPPOLPDYHTI-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.08
Rot. Bonds12

About 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine

2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 103406315) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID103406315
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCCOCCCOC(CNC(C)C)C(C)C
InChIInChI=1S/C14H31NO3/c1-12(2)14(11-15-13(3)4)18-8-6-7-17-10-9-16-5/h12-15H,6-11H2,1-5H3
InChIKeyQUNKPPOLPDYHTI-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.08
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-[(2S)-1-methoxypropan-2-yl]-3-methylbutan-1-amine
CID 28441871
N-(1-methoxypropan-2-yl)-3-methylbutan-1-amine
CID 43177904
2-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 57797145
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-methylbutan-1-amine
CID 58721588
3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
CID 59174908
2,3-dimethoxy-N-propan-2-ylpropan-1-amine
CID 59236970
N-ethyl-1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-amine
CID 59330495
N-ethyl-2-(2-methoxyethoxy)propan-1-amine
CID 60040679
3-methyl-N-(2-propan-2-yloxyethyl)butan-1-amine
CID 60687198
3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 60690387
N-(1,4-dioxan-2-ylmethyl)-3-methylbutan-2-amine
CID 61024725
N-[2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 61684815

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine (CID 103406315) is 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine is COCCOCCCOC(CNC(C)C)C(C)C.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is QUNKPPOLPDYHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-12(2)14(11-15-13(3)4)18-8-6-7-17-10-9-16-5/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.08, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 103406315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).