1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine

C13H27NO3 — CID 104564643

IUPAC1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
SMILESCNC(CCCOCCOCCOC)C1CC1
InChIInChI=1S/C13H27NO3/c1-14-13(12-5-6-12)4-3-7-16-10-11-17-9-8-15-2/h12-14H,3-11H2,1-2H3
InChIKeyGSFHISSJNZFRIG-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds12

About 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine

1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine (PubChem CID 104564643) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
PubChem CID104564643
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
SMILESCNC(CCCOCCOCCOC)C1CC1
InChIInChI=1S/C13H27NO3/c1-14-13(12-5-6-12)4-3-7-16-10-11-17-9-8-15-2/h12-14H,3-11H2,1-2H3
InChIKeyGSFHISSJNZFRIG-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
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

1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
CID 62604714
4-ethoxy-N-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 105153728
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine
CID 105054829
N-[2-cyclopentyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412730
1-cyclopropyl-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63907333
4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine
CID 114855994
2-cyclopentyl-5-(2-methoxyethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103412733
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
[1-(4-ethylcyclohexyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930016

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The IUPAC name of 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine (CID 104564643) is 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The canonical SMILES for 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine is CNC(CCCOCCOCCOC)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The InChIKey is GSFHISSJNZFRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-14-13(12-5-6-12)4-3-7-16-10-11-17-9-8-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 104564643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).