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

C16H22INO — CID 6305587

IUPAC7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C/C=C/I)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+
InChIKeyRTMIJLQPWFKAFE-FPYGCLRLSA-N
MW371.26 g/mol
LogP3.91
Rot. Bonds5

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

7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 6305587) has the molecular formula C16H22INO and a molecular weight of 371.26 g/mol. Its IUPAC name is 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID6305587
Molecular FormulaC16H22INO
Molecular Weight371.26 g/mol
Exact Mass371.07
IUPAC Name7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(C/C=C/I)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+
InChIKeyRTMIJLQPWFKAFE-FPYGCLRLSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
(7S)-7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15288637
7-[(2-fluoro-2-methoxyethyl)-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 91477099
7-[1-hydroxypropan-2-yl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 91363725
7-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10512444
7-[propyl(3-thiophen-2-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57225664
(7S)-7-[4-(4-phenylpiperazin-1-yl)butyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol;trihydrochloride
CID 24755407
7-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10479465
7-N-ethyl-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798947
[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]piperidin-1-yl]-morpholin-4-ylmethanone
CID 22649552
7-[ethyl-[(1-methoxypiperidin-4-yl)methyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142248622
6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 91826447

Frequently Asked Questions

What is the IUPAC name of 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 6305587) is 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RTMIJLQPWFKAFE-FPYGCLRLSA-N. The full InChI is InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+.
What are the key properties of 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 371.26 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 6305587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).