1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane

C11H19F3N2 — CID 103371914

IUPAC1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane
SMILESFC(F)(F)C1CNCCN(CC2CCC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10-6-15-4-5-16(8-10)7-9-2-1-3-9/h9-10,15H,1-8H2
InChIKeyBZUSSPILKMHMLD-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.87
Rot. Bonds2

About 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane

1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane (PubChem CID 103371914) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane
PubChem CID103371914
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane
SMILESFC(F)(F)C1CNCCN(CC2CCC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)10-6-15-4-5-16(8-10)7-9-2-1-3-9/h9-10,15H,1-8H2
InChIKeyBZUSSPILKMHMLD-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-1,4-diazepane
CID 103371982
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892
1-butyl-6-(trifluoromethyl)-1,4-diazepane
CID 103371843
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
CID 175158336
1-(2,2-dimethylcyclopropyl)-6-(trifluoromethyl)-1,4-diazepane
CID 103371999
1-(cyclopentylmethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833983
1-(azetidin-3-yl)-4-(cyclobutylmethyl)piperazine
CID 66203334
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
CID 120849638
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane?
The IUPAC name of 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane (CID 103371914) is 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane.
What is the SMILES notation for 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane?
The canonical SMILES for 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane is FC(F)(F)C1CNCCN(CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane?
The InChIKey is BZUSSPILKMHMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)10-6-15-4-5-16(8-10)7-9-2-1-3-9/h9-10,15H,1-8H2.
What are the key properties of 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane?
1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane has a molecular weight of 236.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-6-(trifluoromethyl)-1,4-diazepane is sourced from PubChem (CID 103371914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).