7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride

C17H26Cl2N2 — CID 154886143

IUPAC7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
SMILESC=Cc1cccc(CN2CCCC3(CCNC3)C2)c1.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/c1-2-15-5-3-6-16(11-15)12-19-10-4-7-17(14-19)8-9-18-13-17;;/h2-3,5-6,11,18H,1,4,7-10,12-14H2;2*1H
InChIKeyUHEDPMISBLISOT-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.75
Rot. Bonds3

About 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride

7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 154886143) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
PubChem CID154886143
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
SMILESC=Cc1cccc(CN2CCCC3(CCNC3)C2)c1.Cl.Cl
InChIInChI=1S/C17H24N2.2ClH/c1-2-15-5-3-6-16(11-15)12-19-10-4-7-17(14-19)8-9-18-13-17;;/h2-3,5-6,11,18H,1,4,7-10,12-14H2;2*1H
InChIKeyUHEDPMISBLISOT-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
1-[(5S)-9-[(3-ethenylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-methoxyethanone
CID 95211406
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
CID 95203310
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56752325
methyl 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)benzoate;hydrochloride
CID 120907762
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908518

Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride (CID 154886143) is 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride is C=Cc1cccc(CN2CCCC3(CCNC3)C2)c1.Cl.Cl.
What is the InChIKey of 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is UHEDPMISBLISOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.2ClH/c1-2-15-5-3-6-16(11-15)12-19-10-4-7-17(14-19)8-9-18-13-17;;/h2-3,5-6,11,18H,1,4,7-10,12-14H2;2*1H.
What are the key properties of 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 154886143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).