1,3-diethyl-3-(2-methylbutyl)azetidine

C12H25N — CID 166548654

IUPAC1,3-diethyl-3-(2-methylbutyl)azetidine
SMILESCCC(C)CC1(CC)CN(CC)C1
InChIInChI=1S/C12H25N/c1-5-11(4)8-12(6-2)9-13(7-3)10-12/h11H,5-10H2,1-4H3
InChIKeyNZJRZEGJUWBCCP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds5

About 1,3-diethyl-3-(2-methylbutyl)azetidine

1,3-diethyl-3-(2-methylbutyl)azetidine (PubChem CID 166548654) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1,3-diethyl-3-(2-methylbutyl)azetidine.

Molecular Properties

Compound Name1,3-diethyl-3-(2-methylbutyl)azetidine
PubChem CID166548654
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1,3-diethyl-3-(2-methylbutyl)azetidine
SMILESCCC(C)CC1(CC)CN(CC)C1
InChIInChI=1S/C12H25N/c1-5-11(4)8-12(6-2)9-13(7-3)10-12/h11H,5-10H2,1-4H3
InChIKeyNZJRZEGJUWBCCP-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-diethyl-3-(2-methylbutyl)azetidine 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

3-ethyl-3-(2-methylbutyl)pyrrolidine
CID 62352988
1,3-diethyl-1-(2-methylbutyl)cyclopentane
CID 123267879
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170578237
[4-(2-methylbutyl)oxan-4-yl]methanol
CID 66024312
N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
CID 65194330
1-ethyl-3-(2-methylbutyl)imidazolidine
CID 140603347
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276699
ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine
CID 172617220
6-(3,3-diethylazetidin-1-yl)-4-methylhexanoic acid
CID 79695309
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
1,3-diethyl-3-propan-2-ylpyrrolidine
CID 131976816

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3-(2-methylbutyl)azetidine?
The IUPAC name of 1,3-diethyl-3-(2-methylbutyl)azetidine (CID 166548654) is 1,3-diethyl-3-(2-methylbutyl)azetidine.
What is the SMILES notation for 1,3-diethyl-3-(2-methylbutyl)azetidine?
The canonical SMILES for 1,3-diethyl-3-(2-methylbutyl)azetidine is CCC(C)CC1(CC)CN(CC)C1.
What is the InChIKey of 1,3-diethyl-3-(2-methylbutyl)azetidine?
The InChIKey is NZJRZEGJUWBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-11(4)8-12(6-2)9-13(7-3)10-12/h11H,5-10H2,1-4H3.
What are the key properties of 1,3-diethyl-3-(2-methylbutyl)azetidine?
1,3-diethyl-3-(2-methylbutyl)azetidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3-(2-methylbutyl)azetidine is sourced from PubChem (CID 166548654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).