3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine

C13H27NO — CID 64852669

IUPAC3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine
SMILESCCCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C13H27NO/c1-5-7-8-9-14-11-10-12(15-6-2)13(11,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyHWFJUQMVPLOFSK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine (PubChem CID 64852669) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine
PubChem CID64852669
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine
SMILESCCCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C13H27NO/c1-5-7-8-9-14-11-10-12(15-6-2)13(11,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyHWFJUQMVPLOFSK-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine (CID 64852669) is 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine is CCCCCNC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine?
The InChIKey is HWFJUQMVPLOFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-8-9-14-11-10-12(15-6-2)13(11,3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-pentylcyclobutan-1-amine is sourced from PubChem (CID 64852669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).