8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

C15H21NO — CID 114090967

IUPAC8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=CCC(C)NC1CCCc2ccc(O)cc21
InChIInChI=1S/C15H21NO/c1-3-5-11(2)16-15-7-4-6-12-8-9-13(17)10-14(12)15/h3,8-11,15-17H,1,4-7H2,2H3
InChIKeySZXLCXZCMJRGIJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.32
Rot. Bonds4

About 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 114090967) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID114090967
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC=CCC(C)NC1CCCc2ccc(O)cc21
InChIInChI=1S/C15H21NO/c1-3-5-11(2)16-15-7-4-6-12-8-9-13(17)10-14(12)15/h3,8-11,15-17H,1,4-7H2,2H3
InChIKeySZXLCXZCMJRGIJ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106158830
(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103894761
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090966
8-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106387893
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138043504
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523

Frequently Asked Questions

What is the IUPAC name of 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 114090967) is 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is C=CCC(C)NC1CCCc2ccc(O)cc21.
What is the InChIKey of 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is SZXLCXZCMJRGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-11(2)16-15-7-4-6-12-8-9-13(17)10-14(12)15/h3,8-11,15-17H,1,4-7H2,2H3.
What are the key properties of 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 231.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 114090967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).