5-(dodecylamino)naphthalen-1-ol

C22H33NO — CID 11438841

IUPAC5-(dodecylamino)naphthalen-1-ol
SMILESCCCCCCCCCCCCNc1cccc2c(O)cccc12
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-18-23-21-16-12-15-20-19(21)14-13-17-22(20)24/h12-17,23-24H,2-11,18H2,1H3
InChIKeyLYKCTCZPOMMGEY-UHFFFAOYSA-N
MW327.51 g/mol
LogP6.88
Rot. Bonds12

About 5-(dodecylamino)naphthalen-1-ol

5-(dodecylamino)naphthalen-1-ol (PubChem CID 11438841) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 5-(dodecylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(dodecylamino)naphthalen-1-ol
PubChem CID11438841
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name5-(dodecylamino)naphthalen-1-ol
SMILESCCCCCCCCCCCCNc1cccc2c(O)cccc12
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-18-23-21-16-12-15-20-19(21)14-13-17-22(20)24/h12-17,23-24H,2-11,18H2,1H3
InChIKeyLYKCTCZPOMMGEY-UHFFFAOYSA-N
XLogP6.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.88
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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Related Compounds

N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
2-(hexadecylamino)phenol
CID 154256819
2,3-bis(octylamino)phenol
CID 67224440
5-(3-chloropropylamino)naphthalen-1-ol
CID 70579278
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-(octadecylamino)-6-phenylphenol
CID 138395030
3-(butylamino)-2-(dimethylamino)phenol
CID 54044489
3-chloro-2-methyl-N-octylaniline
CID 43129192
3-fluoro-2-methyl-N-octylaniline
CID 55191614
2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
CID 70579258
2-hydroxy-3-(pentylamino)benzaldehyde
CID 88730085

Frequently Asked Questions

What is the IUPAC name of 5-(dodecylamino)naphthalen-1-ol?
The IUPAC name of 5-(dodecylamino)naphthalen-1-ol (CID 11438841) is 5-(dodecylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(dodecylamino)naphthalen-1-ol?
The canonical SMILES for 5-(dodecylamino)naphthalen-1-ol is CCCCCCCCCCCCNc1cccc2c(O)cccc12.
What is the InChIKey of 5-(dodecylamino)naphthalen-1-ol?
The InChIKey is LYKCTCZPOMMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-18-23-21-16-12-15-20-19(21)14-13-17-22(20)24/h12-17,23-24H,2-11,18H2,1H3.
What are the key properties of 5-(dodecylamino)naphthalen-1-ol?
5-(dodecylamino)naphthalen-1-ol has a molecular weight of 327.51 g/mol, XLogP of 6.88, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dodecylamino)naphthalen-1-ol is sourced from PubChem (CID 11438841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).