6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine

C14H25NO — CID 15406771

IUPAC6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine
SMILESCOC1=NCCCCC1CC1CCCCC1
InChIInChI=1S/C14H25NO/c1-16-14-13(9-5-6-10-15-14)11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3
InChIKeyRWHBEYUJHBLSDH-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.80
Rot. Bonds2

About 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine

6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 15406771) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine
PubChem CID15406771
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine
SMILESCOC1=NCCCCC1CC1CCCCC1
InChIInChI=1S/C14H25NO/c1-16-14-13(9-5-6-10-15-14)11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3
InChIKeyRWHBEYUJHBLSDH-UHFFFAOYSA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine?
The IUPAC name of 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine (CID 15406771) is 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine.
What is the SMILES notation for 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine?
The canonical SMILES for 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine is COC1=NCCCCC1CC1CCCCC1.
What is the InChIKey of 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine?
The InChIKey is RWHBEYUJHBLSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-16-14-13(9-5-6-10-15-14)11-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3.
What are the key properties of 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine?
6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 223.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 15406771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).