3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane

C14H27FN2 — CID 81114088

IUPAC3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
SMILESFCCCN1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C14H27FN2/c15-8-4-10-17-11-5-9-16-14(12-17)13-6-2-1-3-7-13/h13-14,16H,1-12H2
InChIKeyZZHNFLPPLLPSAN-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.59
Rot. Bonds4

About 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane

3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane (PubChem CID 81114088) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
PubChem CID81114088
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
SMILESFCCCN1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C14H27FN2/c15-8-4-10-17-11-5-9-16-14(12-17)13-6-2-1-3-7-13/h13-14,16H,1-12H2
InChIKeyZZHNFLPPLLPSAN-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64872103
1-(3-fluoropropyl)-3-methyl-1,4-diazepane
CID 81113476
3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049
1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
CID 64951588
3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]-1,4-diazepane
CID 106172745
3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
CID 64833283
3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64872115
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
CID 64943808
3-cyclohexyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64870713
3-cyclohexyl-1-(2-cyclopentyloxyethyl)piperazine
CID 64951819
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
3-cyclopropyl-1-(4-phenylbutyl)-1,4-diazepane
CID 114334965

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane (CID 81114088) is 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane is FCCCN1CCCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane?
The InChIKey is ZZHNFLPPLLPSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c15-8-4-10-17-11-5-9-16-14(12-17)13-6-2-1-3-7-13/h13-14,16H,1-12H2.
What are the key properties of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane?
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane has a molecular weight of 242.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane is sourced from PubChem (CID 81114088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).