3-butyl-1-ethyl-3-methyl-2-propylazetidine

C13H27N — CID 129254480

IUPAC3-butyl-1-ethyl-3-methyl-2-propylazetidine
SMILESCCCCC1(C)CN(CC)C1CCC
InChIInChI=1S/C13H27N/c1-5-8-10-13(4)11-14(7-3)12(13)9-6-2/h12H,5-11H2,1-4H3
InChIKeyPFRVTPIFSUIHTF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds6

About 3-butyl-1-ethyl-3-methyl-2-propylazetidine

3-butyl-1-ethyl-3-methyl-2-propylazetidine (PubChem CID 129254480) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-butyl-1-ethyl-3-methyl-2-propylazetidine.

Molecular Properties

Compound Name3-butyl-1-ethyl-3-methyl-2-propylazetidine
PubChem CID129254480
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-butyl-1-ethyl-3-methyl-2-propylazetidine
SMILESCCCCC1(C)CN(CC)C1CCC
InChIInChI=1S/C13H27N/c1-5-8-10-13(4)11-14(7-3)12(13)9-6-2/h12H,5-11H2,1-4H3
InChIKeyPFRVTPIFSUIHTF-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-butyl-1-ethyl-3-methyl-2-propylazetidine 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-butyl-1-ethyl-3-methyl-2-propylazetidine?
The IUPAC name of 3-butyl-1-ethyl-3-methyl-2-propylazetidine (CID 129254480) is 3-butyl-1-ethyl-3-methyl-2-propylazetidine.
What is the SMILES notation for 3-butyl-1-ethyl-3-methyl-2-propylazetidine?
The canonical SMILES for 3-butyl-1-ethyl-3-methyl-2-propylazetidine is CCCCC1(C)CN(CC)C1CCC.
What is the InChIKey of 3-butyl-1-ethyl-3-methyl-2-propylazetidine?
The InChIKey is PFRVTPIFSUIHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-8-10-13(4)11-14(7-3)12(13)9-6-2/h12H,5-11H2,1-4H3.
What are the key properties of 3-butyl-1-ethyl-3-methyl-2-propylazetidine?
3-butyl-1-ethyl-3-methyl-2-propylazetidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethyl-3-methyl-2-propylazetidine is sourced from PubChem (CID 129254480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).