ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide

C15H34INO2 — CID 176943439

IUPACethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide
SMILESCC.COC(C)(C)C.I.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H12O.C2H6.HI/c10-7-8-3-1-5-9(8)6-2-4-8;1-5(2,3)6-4;1-2;/h10H,1-7H2;1-4H3;1-2H3;1H
InChIKeyDVTOTNOHYRHWCI-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.68
Rot. Bonds1

About ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide

ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide (PubChem CID 176943439) has the molecular formula C15H34INO2 and a molecular weight of 387.35 g/mol. Its IUPAC name is ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide.

Molecular Properties

Compound Nameethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide
PubChem CID176943439
Molecular FormulaC15H34INO2
Molecular Weight387.35 g/mol
Exact Mass387.16
IUPAC Nameethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide
SMILESCC.COC(C)(C)C.I.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H12O.C2H6.HI/c10-7-8-3-1-5-9(8)6-2-4-8;1-5(2,3)6-4;1-2;/h10H,1-7H2;1-4H3;1-2H3;1H
InChIKeyDVTOTNOHYRHWCI-UHFFFAOYSA-N
XLogP3.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
CID 164534379
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;hydrochloride
CID 12691221
[1-(azepan-1-yl)cyclopentyl]methanol
CID 104549393
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
CID 164922014
ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164904001
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
2-(difluoromethyl)-3-methoxypyrazine;ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
CID 169255160
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
[(8S)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol;ethane
CID 164904279
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide?
The IUPAC name of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide (CID 176943439) is ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide.
What is the SMILES notation for ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide?
The canonical SMILES for ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide is CC.COC(C)(C)C.I.OCC12CCCN1CCC2.
What is the InChIKey of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide?
The InChIKey is DVTOTNOHYRHWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C5H12O.C2H6.HI/c10-7-8-3-1-5-9(8)6-2-4-8;1-5(2,3)6-4;1-2;/h10H,1-7H2;1-4H3;1-2H3;1H.
What are the key properties of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide?
ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide has a molecular weight of 387.35 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;2-methoxy-2-methylpropane;hydroiodide is sourced from PubChem (CID 176943439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).