4-(pentan-3-ylamino)naphthalen-1-ol

C15H19NO — CID 45487171

IUPAC4-(pentan-3-ylamino)naphthalen-1-ol
SMILESCCC(CC)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C15H19NO/c1-3-11(4-2)16-14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16-17H,3-4H2,1-2H3
InChIKeyLZQSUKJAJXHQLF-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.15
Rot. Bonds4

About 4-(pentan-3-ylamino)naphthalen-1-ol

4-(pentan-3-ylamino)naphthalen-1-ol (PubChem CID 45487171) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(pentan-3-ylamino)naphthalen-1-ol.

Molecular Properties

Compound Name4-(pentan-3-ylamino)naphthalen-1-ol
PubChem CID45487171
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-(pentan-3-ylamino)naphthalen-1-ol
SMILESCCC(CC)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C15H19NO/c1-3-11(4-2)16-14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16-17H,3-4H2,1-2H3
InChIKeyLZQSUKJAJXHQLF-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pentan-3-ylamino)naphthalen-1-ol?
The IUPAC name of 4-(pentan-3-ylamino)naphthalen-1-ol (CID 45487171) is 4-(pentan-3-ylamino)naphthalen-1-ol.
What is the SMILES notation for 4-(pentan-3-ylamino)naphthalen-1-ol?
The canonical SMILES for 4-(pentan-3-ylamino)naphthalen-1-ol is CCC(CC)Nc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(pentan-3-ylamino)naphthalen-1-ol?
The InChIKey is LZQSUKJAJXHQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-11(4-2)16-14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16-17H,3-4H2,1-2H3.
What are the key properties of 4-(pentan-3-ylamino)naphthalen-1-ol?
4-(pentan-3-ylamino)naphthalen-1-ol has a molecular weight of 229.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-3-ylamino)naphthalen-1-ol is sourced from PubChem (CID 45487171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).