methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium

C31H52I3N2O3S2V — CID 162016290

IUPACmethane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium
SMILESC.CCCN(C(C)=O)[C@H]1CCc2c(cccc2OC)C1.CCCNC1CCc2c(cccc2OC)C1.I[V](I)I.S.S
InChIInChI=1S/C16H23NO2.C14H21NO.CH4.3HI.2H2S.V/c1-4-10-17(12(2)18)14-8-9-15-13(11-14)6-5-7-16(15)19-3;1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2;;;;;;;/h5-7,14H,4,8-11H2,1-3H3;4-6,12,15H,3,7-10H2,1-2H3;1H4;3*1H;2*1H2;/q;;;;;;;;+3/p-3/t14-;;;;;;;;/m0......../s1
InChIKeyYUDOAPVAPYURCH-DZVKBYATSA-K
MW996.56 g/mol
LogP8.88
Rot. Bonds8

About methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium

methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium (PubChem CID 162016290) has the molecular formula C31H52I3N2O3S2V and a molecular weight of 996.56 g/mol. Its IUPAC name is methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium.

Molecular Properties

Compound Namemethane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium
PubChem CID162016290
Molecular FormulaC31H52I3N2O3S2V
Molecular Weight996.56 g/mol
Exact Mass996.00
IUPAC Namemethane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium
SMILESC.CCCN(C(C)=O)[C@H]1CCc2c(cccc2OC)C1.CCCNC1CCc2c(cccc2OC)C1.I[V](I)I.S.S
InChIInChI=1S/C16H23NO2.C14H21NO.CH4.3HI.2H2S.V/c1-4-10-17(12(2)18)14-8-9-15-13(11-14)6-5-7-16(15)19-3;1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2;;;;;;;/h5-7,14H,4,8-11H2,1-3H3;4-6,12,15H,3,7-10H2,1-2H3;1H4;3*1H;2*1H2;/q;;;;;;;;+3/p-3/t14-;;;;;;;;/m0......../s1
InChIKeyYUDOAPVAPYURCH-DZVKBYATSA-K
XLogP8.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.56
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium?
The IUPAC name of methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium (CID 162016290) is methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium.
What is the SMILES notation for methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium?
The canonical SMILES for methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium is C.CCCN(C(C)=O)[C@H]1CCc2c(cccc2OC)C1.CCCNC1CCc2c(cccc2OC)C1.I[V](I)I.S.S.
What is the InChIKey of methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium?
The InChIKey is YUDOAPVAPYURCH-DZVKBYATSA-K. The full InChI is InChI=1S/C16H23NO2.C14H21NO.CH4.3HI.2H2S.V/c1-4-10-17(12(2)18)14-8-9-15-13(11-14)6-5-7-16(15)19-3;1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2;;;;;;;/h5-7,14H,4,8-11H2,1-3H3;4-6,12,15H,3,7-10H2,1-2H3;1H4;3*1H;2*1H2;/q;;;;;;;;+3/p-3/t14-;;;;;;;;/m0......../s1.
What are the key properties of methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium?
methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium has a molecular weight of 996.56 g/mol, XLogP of 8.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium is sourced from PubChem (CID 162016290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).