1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine

C12H26N2 — CID 135167675

IUPAC1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine
SMILESCC(C)(C)CN1CN(CC(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2,3)7-13-9-14(10-13)8-12(4,5)6/h7-10H2,1-6H3
InChIKeyJZMUSGANDFKGOF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.61
Rot. Bonds2

About 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine

1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine (PubChem CID 135167675) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine
PubChem CID135167675
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine
SMILESCC(C)(C)CN1CN(CC(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2,3)7-13-9-14(10-13)8-12(4,5)6/h7-10H2,1-6H3
InChIKeyJZMUSGANDFKGOF-UHFFFAOYSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine?
The IUPAC name of 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine (CID 135167675) is 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine?
The canonical SMILES for 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine is CC(C)(C)CN1CN(CC(C)(C)C)C1.
What is the InChIKey of 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine?
The InChIKey is JZMUSGANDFKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)7-13-9-14(10-13)8-12(4,5)6/h7-10H2,1-6H3.
What are the key properties of 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine?
1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine has a molecular weight of 198.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine is sourced from PubChem (CID 135167675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).