1-methyl-2-propyldiazetidine

C6H14N2 — CID 123612184

IUPAC1-methyl-2-propyldiazetidine
SMILESCCCN1CCN1C
InChIInChI=1S/C6H14N2/c1-3-4-8-6-5-7(8)2/h3-6H2,1-2H3
InChIKeyYYAIENCNIHUOQS-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.56
Rot. Bonds2

About 1-methyl-2-propyldiazetidine

1-methyl-2-propyldiazetidine (PubChem CID 123612184) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-methyl-2-propyldiazetidine.

Molecular Properties

Compound Name1-methyl-2-propyldiazetidine
PubChem CID123612184
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-methyl-2-propyldiazetidine
SMILESCCCN1CCN1C
InChIInChI=1S/C6H14N2/c1-3-4-8-6-5-7(8)2/h3-6H2,1-2H3
InChIKeyYYAIENCNIHUOQS-UHFFFAOYSA-N
XLogP0.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyldiazetidine?
The IUPAC name of 1-methyl-2-propyldiazetidine (CID 123612184) is 1-methyl-2-propyldiazetidine.
What is the SMILES notation for 1-methyl-2-propyldiazetidine?
The canonical SMILES for 1-methyl-2-propyldiazetidine is CCCN1CCN1C.
What is the InChIKey of 1-methyl-2-propyldiazetidine?
The InChIKey is YYAIENCNIHUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-4-8-6-5-7(8)2/h3-6H2,1-2H3.
What are the key properties of 1-methyl-2-propyldiazetidine?
1-methyl-2-propyldiazetidine has a molecular weight of 114.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyldiazetidine is sourced from PubChem (CID 123612184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).