1-cyclohexyl-1,3-diazetidine

C8H16N2 — CID 20659802

IUPAC1-cyclohexyl-1,3-diazetidine
SMILESC1CCC(N2CNC2)CC1
InChIInChI=1S/C8H16N2/c1-2-4-8(5-3-1)10-6-9-7-10/h8-9H,1-7H2
InChIKeyKDIPWHULLYHZOB-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.14
Rot. Bonds1

About 1-cyclohexyl-1,3-diazetidine

1-cyclohexyl-1,3-diazetidine (PubChem CID 20659802) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-cyclohexyl-1,3-diazetidine.

Molecular Properties

Compound Name1-cyclohexyl-1,3-diazetidine
PubChem CID20659802
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-cyclohexyl-1,3-diazetidine
SMILESC1CCC(N2CNC2)CC1
InChIInChI=1S/C8H16N2/c1-2-4-8(5-3-1)10-6-9-7-10/h8-9H,1-7H2
InChIKeyKDIPWHULLYHZOB-UHFFFAOYSA-N
XLogP1.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclohexylpiperidine;methane
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1-cycloheptyl-2,5-dihydropyrrole
CID 139880348
3,7-dicyclohexyl-1,5,3,7-diselenadiazocane
CID 11112323
1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
(7Z)-1-cycloundec-5-en-1-yl-1,3-diazacycloundec-7-ene
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,3-diazetidine?
The IUPAC name of 1-cyclohexyl-1,3-diazetidine (CID 20659802) is 1-cyclohexyl-1,3-diazetidine.
What is the SMILES notation for 1-cyclohexyl-1,3-diazetidine?
The canonical SMILES for 1-cyclohexyl-1,3-diazetidine is C1CCC(N2CNC2)CC1.
What is the InChIKey of 1-cyclohexyl-1,3-diazetidine?
The InChIKey is KDIPWHULLYHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-4-8(5-3-1)10-6-9-7-10/h8-9H,1-7H2.
What are the key properties of 1-cyclohexyl-1,3-diazetidine?
1-cyclohexyl-1,3-diazetidine has a molecular weight of 140.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3-diazetidine is sourced from PubChem (CID 20659802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).