3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane

C16H30N2O — CID 64942966

IUPAC3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane
SMILESC1CCC(C2CN(C3CCOCC3)CCCN2)CC1
InChIInChI=1S/C16H30N2O/c1-2-5-14(6-3-1)16-13-18(10-4-9-17-16)15-7-11-19-12-8-15/h14-17H,1-13H2
InChIKeyKWVNIBQHEWPFQD-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds2

About 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane

3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane (PubChem CID 64942966) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane
PubChem CID64942966
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane
SMILESC1CCC(C2CN(C3CCOCC3)CCCN2)CC1
InChIInChI=1S/C16H30N2O/c1-2-5-14(6-3-1)16-13-18(10-4-9-17-16)15-7-11-19-12-8-15/h14-17H,1-13H2
InChIKeyKWVNIBQHEWPFQD-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-cyclohexyl-1,4-diazepane
CID 64945306
1-cyclooctyl-3-cyclopropylpiperazine
CID 64924583
3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 64944124
6-(oxolan-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678402
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)piperazine
CID 64952444
3-cyclopropyl-1-(4-ethylcyclohexyl)-1,4-diazepane
CID 64943423
6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82931358
6-cyclobutyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678458
3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 107854036
3-cyclohexyl-1-(2-methyloxolan-3-yl)piperazine
CID 82737480
(2S)-2-(oxan-4-yl)pyrrolidine
CID 94891765
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane?
The IUPAC name of 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane (CID 64942966) is 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane.
What is the SMILES notation for 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane?
The canonical SMILES for 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane is C1CCC(C2CN(C3CCOCC3)CCCN2)CC1.
What is the InChIKey of 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane?
The InChIKey is KWVNIBQHEWPFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-5-14(6-3-1)16-13-18(10-4-9-17-16)15-7-11-19-12-8-15/h14-17H,1-13H2.
What are the key properties of 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane?
3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane has a molecular weight of 266.43 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(oxan-4-yl)-1,4-diazepane is sourced from PubChem (CID 64942966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).