5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol

C17H21NO — CID 103561536

IUPAC5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol
SMILESCC(C)C1CC(Nc2cccc3c(O)cccc23)C1
InChIInChI=1S/C17H21NO/c1-11(2)12-9-13(10-12)18-16-7-3-6-15-14(16)5-4-8-17(15)19/h3-8,11-13,18-19H,9-10H2,1-2H3
InChIKeyCHMCKZXBOGDIRA-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.39
Rot. Bonds3

About 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol

5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol (PubChem CID 103561536) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol
PubChem CID103561536
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol
SMILESCC(C)C1CC(Nc2cccc3c(O)cccc23)C1
InChIInChI=1S/C17H21NO/c1-11(2)12-9-13(10-12)18-16-7-3-6-15-14(16)5-4-8-17(15)19/h3-8,11-13,18-19H,9-10H2,1-2H3
InChIKeyCHMCKZXBOGDIRA-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol?
The IUPAC name of 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol (CID 103561536) is 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol.
What is the SMILES notation for 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol?
The canonical SMILES for 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol is CC(C)C1CC(Nc2cccc3c(O)cccc23)C1.
What is the InChIKey of 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol?
The InChIKey is CHMCKZXBOGDIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11(2)12-9-13(10-12)18-16-7-3-6-15-14(16)5-4-8-17(15)19/h3-8,11-13,18-19H,9-10H2,1-2H3.
What are the key properties of 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol?
5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol has a molecular weight of 255.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-ylcyclobutyl)amino]naphthalen-1-ol is sourced from PubChem (CID 103561536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).