4-(naphthalen-1-ylamino)butan-1-ol

C14H17NO — CID 646092

IUPAC4-(naphthalen-1-ylamino)butan-1-ol
SMILESOCCCCNc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15-16H,3-4,10-11H2
InChIKeyZHKPFNWNKYUXFV-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.02
Rot. Bonds5

About 4-(naphthalen-1-ylamino)butan-1-ol

4-(naphthalen-1-ylamino)butan-1-ol (PubChem CID 646092) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(naphthalen-1-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(naphthalen-1-ylamino)butan-1-ol
PubChem CID646092
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(naphthalen-1-ylamino)butan-1-ol
SMILESOCCCCNc1cccc2ccccc12
InChIInChI=1S/C14H17NO/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15-16H,3-4,10-11H2
InChIKeyZHKPFNWNKYUXFV-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylamino)butan-1-ol?
The IUPAC name of 4-(naphthalen-1-ylamino)butan-1-ol (CID 646092) is 4-(naphthalen-1-ylamino)butan-1-ol.
What is the SMILES notation for 4-(naphthalen-1-ylamino)butan-1-ol?
The canonical SMILES for 4-(naphthalen-1-ylamino)butan-1-ol is OCCCCNc1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylamino)butan-1-ol?
The InChIKey is ZHKPFNWNKYUXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15-16H,3-4,10-11H2.
What are the key properties of 4-(naphthalen-1-ylamino)butan-1-ol?
4-(naphthalen-1-ylamino)butan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylamino)butan-1-ol is sourced from PubChem (CID 646092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).