6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C14H21NO — CID 12581171

IUPAC6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCCNC1CCc2c(O)cccc2C1
InChIInChI=1S/C14H21NO/c1-2-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16/h4-6,12,15-16H,2-3,7-10H2,1H3
InChIKeySNPWIKMNCKTVTR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.64
Rot. Bonds4

About 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 12581171) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID12581171
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCCNC1CCc2c(O)cccc2C1
InChIInChI=1S/C14H21NO/c1-2-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16/h4-6,12,15-16H,2-3,7-10H2,1H3
InChIKeySNPWIKMNCKTVTR-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.64
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 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 12581171) is 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is CCCCNC1CCc2c(O)cccc2C1.
What is the InChIKey of 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is SNPWIKMNCKTVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16/h4-6,12,15-16H,2-3,7-10H2,1H3.
What are the key properties of 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 12581171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).