3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine

C15H31NO3 — CID 103408104

IUPAC3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCCOCCOC)C1(C)C
InChIInChI=1S/C15H31NO3/c1-5-7-16-13-12-14(15(13,2)3)19-9-6-8-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyJFCUVXPUDFEECC-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.22
Rot. Bonds11

About 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine

3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 103408104) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID103408104
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCCOCCOC)C1(C)C
InChIInChI=1S/C15H31NO3/c1-5-7-16-13-12-14(15(13,2)3)19-9-6-8-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyJFCUVXPUDFEECC-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-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

N-ethyl-3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylcyclobutan-1-amine
CID 103408066
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64853122
2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
CID 66353076
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579
2-ethyl-3-(2-methoxyethoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66357580
3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
CID 103401822
3-(2-ethoxyethoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66359597

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 103408104) is 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(OCCCOCCOC)C1(C)C.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is JFCUVXPUDFEECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-5-7-16-13-12-14(15(13,2)3)19-9-6-8-18-11-10-17-4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 103408104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).