5-(azepan-4-ylamino)naphthalen-1-ol

C16H20N2O — CID 103981451

IUPAC5-(azepan-4-ylamino)naphthalen-1-ol
SMILESOc1cccc2c(NC3CCCNCC3)cccc12
InChIInChI=1S/C16H20N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-12-4-3-10-17-11-9-12/h1-2,5-8,12,17-19H,3-4,9-11H2
InChIKeyHJAATFYONUILHB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.10
Rot. Bonds2

About 5-(azepan-4-ylamino)naphthalen-1-ol

5-(azepan-4-ylamino)naphthalen-1-ol (PubChem CID 103981451) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(azepan-4-ylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(azepan-4-ylamino)naphthalen-1-ol
PubChem CID103981451
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(azepan-4-ylamino)naphthalen-1-ol
SMILESOc1cccc2c(NC3CCCNCC3)cccc12
InChIInChI=1S/C16H20N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-12-4-3-10-17-11-9-12/h1-2,5-8,12,17-19H,3-4,9-11H2
InChIKeyHJAATFYONUILHB-UHFFFAOYSA-N
XLogP3.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-4-ylamino)naphthalen-1-ol?
The IUPAC name of 5-(azepan-4-ylamino)naphthalen-1-ol (CID 103981451) is 5-(azepan-4-ylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(azepan-4-ylamino)naphthalen-1-ol?
The canonical SMILES for 5-(azepan-4-ylamino)naphthalen-1-ol is Oc1cccc2c(NC3CCCNCC3)cccc12.
What is the InChIKey of 5-(azepan-4-ylamino)naphthalen-1-ol?
The InChIKey is HJAATFYONUILHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-12-4-3-10-17-11-9-12/h1-2,5-8,12,17-19H,3-4,9-11H2.
What are the key properties of 5-(azepan-4-ylamino)naphthalen-1-ol?
5-(azepan-4-ylamino)naphthalen-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-4-ylamino)naphthalen-1-ol is sourced from PubChem (CID 103981451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).