1,3-diethylazetidine;1,2-dimethylaziridine

C11H24N2 — CID 161379483

IUPAC1,3-diethylazetidine;1,2-dimethylaziridine
SMILESCC1CN1C.CCC1CN(CC)C1
InChIInChI=1S/C7H15N.C4H9N/c1-3-7-5-8(4-2)6-7;1-4-3-5(4)2/h7H,3-6H2,1-2H3;4H,3H2,1-2H3
InChIKeyVRNKZXJKGJWYJT-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.67
Rot. Bonds2

About 1,3-diethylazetidine;1,2-dimethylaziridine

1,3-diethylazetidine;1,2-dimethylaziridine (PubChem CID 161379483) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1,3-diethylazetidine;1,2-dimethylaziridine.

Molecular Properties

Compound Name1,3-diethylazetidine;1,2-dimethylaziridine
PubChem CID161379483
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1,3-diethylazetidine;1,2-dimethylaziridine
SMILESCC1CN1C.CCC1CN(CC)C1
InChIInChI=1S/C7H15N.C4H9N/c1-3-7-5-8(4-2)6-7;1-4-3-5(4)2/h7H,3-6H2,1-2H3;4H,3H2,1-2H3
InChIKeyVRNKZXJKGJWYJT-UHFFFAOYSA-N
XLogP1.67
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
1-ethyl-3-(methylsulfonylmethyl)azetidine
CID 66972312
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
(1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane
CID 166834518
1,3-diethylpyrrolidine;ethane
CID 145103245
1,3-diethylpyrrolidine;formonitrile
CID 175874911
1,3-diethylpyrrolidine;ethane;molecular hydrogen
CID 143628979
4-(3-ethylazetidin-1-yl)butan-2-amine
CID 79677546
3-ethyl-1-(1-methylazetidin-3-yl)azetidine
CID 164846605
3-ethyl-1-[(4-ethylcyclohexyl)methyl]azetidine
CID 130320709
(2S,6R)-4-ethyl-2,6-dimethyl-1-propan-2-ylpiperazine
CID 135218538

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylazetidine;1,2-dimethylaziridine?
The IUPAC name of 1,3-diethylazetidine;1,2-dimethylaziridine (CID 161379483) is 1,3-diethylazetidine;1,2-dimethylaziridine.
What is the SMILES notation for 1,3-diethylazetidine;1,2-dimethylaziridine?
The canonical SMILES for 1,3-diethylazetidine;1,2-dimethylaziridine is CC1CN1C.CCC1CN(CC)C1.
What is the InChIKey of 1,3-diethylazetidine;1,2-dimethylaziridine?
The InChIKey is VRNKZXJKGJWYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H9N/c1-3-7-5-8(4-2)6-7;1-4-3-5(4)2/h7H,3-6H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1,3-diethylazetidine;1,2-dimethylaziridine?
1,3-diethylazetidine;1,2-dimethylaziridine has a molecular weight of 184.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylazetidine;1,2-dimethylaziridine is sourced from PubChem (CID 161379483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).