1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine

C11H22N2 — CID 177246140

IUPAC1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
SMILESCCN1CC(C2CN(C(C)C)C2)C1
InChIInChI=1S/C11H22N2/c1-4-12-5-10(6-12)11-7-13(8-11)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyOFTLFMKRQAQNFH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.28
Rot. Bonds3

About 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine

1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine (PubChem CID 177246140) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
PubChem CID177246140
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
SMILESCCN1CC(C2CN(C(C)C)C2)C1
InChIInChI=1S/C11H22N2/c1-4-12-5-10(6-12)11-7-13(8-11)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyOFTLFMKRQAQNFH-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine 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 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine?
The IUPAC name of 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine (CID 177246140) is 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine.
What is the SMILES notation for 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine?
The canonical SMILES for 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine is CCN1CC(C2CN(C(C)C)C2)C1.
What is the InChIKey of 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine?
The InChIKey is OFTLFMKRQAQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-12-5-10(6-12)11-7-13(8-11)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine?
1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine has a molecular weight of 182.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine is sourced from PubChem (CID 177246140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).