3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine

C14H29NO3 — CID 107943466

IUPAC3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCCOCCOC1CC(NC)C1OCCC
InChIInChI=1S/C14H29NO3/c1-4-6-8-16-9-10-17-13-11-12(15-3)14(13)18-7-5-2/h12-15H,4-11H2,1-3H3
InChIKeyCYAMYHGJKJCSNL-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.98
Rot. Bonds11

About 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine

3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine (PubChem CID 107943466) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine
PubChem CID107943466
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine
SMILESCCCCOCCOC1CC(NC)C1OCCC
InChIInChI=1S/C14H29NO3/c1-4-6-8-16-9-10-17-13-11-12(15-3)14(13)18-7-5-2/h12-15H,4-11H2,1-3H3
InChIKeyCYAMYHGJKJCSNL-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-butoxyethoxy)-2-ethoxycyclobutan-1-ol
CID 104675355
2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
CID 79642433
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
N-methyl-3-(oxolan-3-yloxy)-2-propoxycyclobutan-1-amine
CID 107943674
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943896
N-methyl-2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-amine
CID 107943604
2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine
CID 104676142
N-methyl-2-propoxy-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 107943502
1-butoxybutane;N-methylmethanamine
CID 88830911
N-methyl-3-(3-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943241
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine (CID 107943466) is 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine is CCCCOCCOC1CC(NC)C1OCCC.
What is the InChIKey of 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine?
The InChIKey is CYAMYHGJKJCSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-6-8-16-9-10-17-13-11-12(15-3)14(13)18-7-5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine?
3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).