1-benzyl-1,3-diazetidine

C9H12N2 — CID 67702530

IUPAC1-benzyl-1,3-diazetidine
SMILESc1ccc(CN2CNC2)cc1
InChIInChI=1S/C9H12N2/c1-2-4-9(5-3-1)6-11-7-10-8-11/h1-5,10H,6-8H2
InChIKeyHHCUSQGDHKNBGX-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.01
Rot. Bonds2

About 1-benzyl-1,3-diazetidine

1-benzyl-1,3-diazetidine (PubChem CID 67702530) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-benzyl-1,3-diazetidine.

Molecular Properties

Compound Name1-benzyl-1,3-diazetidine
PubChem CID67702530
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-benzyl-1,3-diazetidine
SMILESc1ccc(CN2CNC2)cc1
InChIInChI=1S/C9H12N2/c1-2-4-9(5-3-1)6-11-7-10-8-11/h1-5,10H,6-8H2
InChIKeyHHCUSQGDHKNBGX-UHFFFAOYSA-N
XLogP1.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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azane;1-benzylpiperazine
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CID 10853443
1-benzylazepane
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2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
1-(2-phenylethyl)-1,3,5-triazinane
CID 126970923
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
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1-benzyl-3-chloro-3-ethylazetidine
CID 135395939

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3-diazetidine?
The IUPAC name of 1-benzyl-1,3-diazetidine (CID 67702530) is 1-benzyl-1,3-diazetidine.
What is the SMILES notation for 1-benzyl-1,3-diazetidine?
The canonical SMILES for 1-benzyl-1,3-diazetidine is c1ccc(CN2CNC2)cc1.
What is the InChIKey of 1-benzyl-1,3-diazetidine?
The InChIKey is HHCUSQGDHKNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-9(5-3-1)6-11-7-10-8-11/h1-5,10H,6-8H2.
What are the key properties of 1-benzyl-1,3-diazetidine?
1-benzyl-1,3-diazetidine has a molecular weight of 148.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3-diazetidine is sourced from PubChem (CID 67702530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).