1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane

C16H24N2O — CID 141010316

IUPAC1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
SMILESCOc1cccc2c1CCC[C@H]2N1CCCNCC1
InChIInChI=1S/C16H24N2O/c1-19-16-8-3-5-13-14(16)6-2-7-15(13)18-11-4-9-17-10-12-18/h3,5,8,15,17H,2,4,6-7,9-12H2,1H3/t15-/m1/s1
InChIKeyILEYDDQWPZCOGN-OAHLLOKOSA-N
MW260.38 g/mol
LogP2.37
Rot. Bonds2

About 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane

1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane (PubChem CID 141010316) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
PubChem CID141010316
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
SMILESCOc1cccc2c1CCC[C@H]2N1CCCNCC1
InChIInChI=1S/C16H24N2O/c1-19-16-8-3-5-13-14(16)6-2-7-15(13)18-11-4-9-17-10-12-18/h3,5,8,15,17H,2,4,6-7,9-12H2,1H3/t15-/m1/s1
InChIKeyILEYDDQWPZCOGN-OAHLLOKOSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
The IUPAC name of 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane (CID 141010316) is 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane.
What is the SMILES notation for 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
The canonical SMILES for 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane is COc1cccc2c1CCC[C@H]2N1CCCNCC1.
What is the InChIKey of 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
The InChIKey is ILEYDDQWPZCOGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-8-3-5-13-14(16)6-2-7-15(13)18-11-4-9-17-10-12-18/h3,5,8,15,17H,2,4,6-7,9-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane?
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane has a molecular weight of 260.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane is sourced from PubChem (CID 141010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).