7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride

C16H26Cl2N2O — CID 154886396

IUPAC7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
SMILESC/C(=C\c1ccco1)CN1CCCC2(CCNC2)C1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-14(10-15-4-2-9-19-15)11-18-8-3-5-16(13-18)6-7-17-12-16;;/h2,4,9-10,17H,3,5-8,11-13H2,1H3;2*1H/b14-10+;;
InChIKeyVLZAZQFWMDMLPJ-YZEJZXAXSA-N
MW333.30 g/mol
LogP3.60
Rot. Bonds3

About 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride

7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 154886396) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
PubChem CID154886396
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
SMILESC/C(=C\c1ccco1)CN1CCCC2(CCNC2)C1.Cl.Cl
InChIInChI=1S/C16H24N2O.2ClH/c1-14(10-15-4-2-9-19-15)11-18-8-3-5-16(13-18)6-7-17-12-16;;/h2,4,9-10,17H,3,5-8,11-13H2,1H3;2*1H/b14-10+;;
InChIKeyVLZAZQFWMDMLPJ-YZEJZXAXSA-N
XLogP3.60
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride with MolForge

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Related Compounds

(E)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 102849618
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154886143
(2S)-4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(2-methoxyethyl)morpholine
CID 95147358
7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane
CID 45174619
7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56752325
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
CID 102849255
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride (CID 154886396) is 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride is C/C(=C\c1ccco1)CN1CCCC2(CCNC2)C1.Cl.Cl.
What is the InChIKey of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is VLZAZQFWMDMLPJ-YZEJZXAXSA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c1-14(10-15-4-2-9-19-15)11-18-8-3-5-16(13-18)6-7-17-12-16;;/h2,4,9-10,17H,3,5-8,11-13H2,1H3;2*1H/b14-10+;;.
What are the key properties of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,7-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 154886396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).