8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C15H21NO — CID 114090966

IUPAC8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC/C=C/CCNC1CCCc2ccc(O)cc21
InChIInChI=1S/C15H21NO/c1-2-3-4-10-16-15-7-5-6-12-8-9-13(17)11-14(12)15/h2-3,8-9,11,15-17H,4-7,10H2,1H3/b3-2+
InChIKeyYJIVIWMJIGFKOV-NSCUHMNNSA-N
MW231.34 g/mol
LogP3.33
Rot. Bonds4

About 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 114090966) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID114090966
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC/C=C/CCNC1CCCc2ccc(O)cc21
InChIInChI=1S/C15H21NO/c1-2-3-4-10-16-15-7-5-6-12-8-9-13(17)11-14(12)15/h2-3,8-9,11,15-17H,4-7,10H2,1H3/b3-2+
InChIKeyYJIVIWMJIGFKOV-NSCUHMNNSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138043504
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide
CID 106235285
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
5-[2-[ethyl(methyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62634516
8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106158830
5-[2-[ethyl(propyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917623
7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63512491

Frequently Asked Questions

What is the IUPAC name of 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 114090966) is 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is C/C=C/CCNC1CCCc2ccc(O)cc21.
What is the InChIKey of 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is YJIVIWMJIGFKOV-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-10-16-15-7-5-6-12-8-9-13(17)11-14(12)15/h2-3,8-9,11,15-17H,4-7,10H2,1H3/b3-2+.
What are the key properties of 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 231.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 114090966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).