2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine

C14H29NO2 — CID 66357579

IUPAC2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCOC)C1(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-15-12-11-13(17-10-9-16-4)14(12,6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyZZMBFXDNZKNMIU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine

2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine (PubChem CID 66357579) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
PubChem CID66357579
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCOC)C1(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-15-12-11-13(17-10-9-16-4)14(12,6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyZZMBFXDNZKNMIU-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine (CID 66357579) is 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(OCCOC)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine?
The InChIKey is ZZMBFXDNZKNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-15-12-11-13(17-10-9-16-4)14(12,6-2)7-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine?
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).