1-(cyclohexylmethyl)-1,4-diazepane

C12H24N2 — CID 24702363

IUPAC1-(cyclohexylmethyl)-1,4-diazepane
SMILESC1CCC(CN2CCCNCC2)CC1
InChIInChI=1S/C12H24N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h12-13H,1-11H2
InChIKeyMBOYHABMLRNQHS-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About 1-(cyclohexylmethyl)-1,4-diazepane

1-(cyclohexylmethyl)-1,4-diazepane (PubChem CID 24702363) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1,4-diazepane
PubChem CID24702363
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(cyclohexylmethyl)-1,4-diazepane
SMILESC1CCC(CN2CCCNCC2)CC1
InChIInChI=1S/C12H24N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h12-13H,1-11H2
InChIKeyMBOYHABMLRNQHS-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1,4-diazepane?
The IUPAC name of 1-(cyclohexylmethyl)-1,4-diazepane (CID 24702363) is 1-(cyclohexylmethyl)-1,4-diazepane.
What is the SMILES notation for 1-(cyclohexylmethyl)-1,4-diazepane?
The canonical SMILES for 1-(cyclohexylmethyl)-1,4-diazepane is C1CCC(CN2CCCNCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-1,4-diazepane?
The InChIKey is MBOYHABMLRNQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h12-13H,1-11H2.
What are the key properties of 1-(cyclohexylmethyl)-1,4-diazepane?
1-(cyclohexylmethyl)-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1,4-diazepane is sourced from PubChem (CID 24702363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).