7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol

C12H26N3O2+ — CID 118283225

IUPAC7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol
SMILESCN(C)CC(O)CN1CC[N+]2(CC1)CC(O)C2
InChIInChI=1S/C12H26N3O2/c1-13(2)7-11(16)8-14-3-5-15(6-4-14)9-12(17)10-15/h11-12,16-17H,3-10H2,1-2H3/q+1
InChIKeyVHSNAZSWOASYIS-UHFFFAOYSA-N
MW244.36 g/mol
LogP-1.58
Rot. Bonds4

About 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol

7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol (PubChem CID 118283225) has the molecular formula C12H26N3O2+ and a molecular weight of 244.36 g/mol. Its IUPAC name is 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol.

Molecular Properties

Compound Name7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol
PubChem CID118283225
Molecular FormulaC12H26N3O2+
Molecular Weight244.36 g/mol
Exact Mass244.20
IUPAC Name7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol
SMILESCN(C)CC(O)CN1CC[N+]2(CC1)CC(O)C2
InChIInChI=1S/C12H26N3O2/c1-13(2)7-11(16)8-14-3-5-15(6-4-14)9-12(17)10-15/h11-12,16-17H,3-10H2,1-2H3/q+1
InChIKeyVHSNAZSWOASYIS-UHFFFAOYSA-N
XLogP-1.58
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carbanide;7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol
CID 161103258
1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol
CID 166075862
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254
(2S)-1-amino-3-[[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-methylamino]propan-2-ol
CID 2260106
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol
CID 75380936
2-[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-methylamino]acetonitrile
CID 111106256
1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111116685
1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 112561270
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
The IUPAC name of 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol (CID 118283225) is 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol.
What is the SMILES notation for 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
The canonical SMILES for 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol is CN(C)CC(O)CN1CC[N+]2(CC1)CC(O)C2.
What is the InChIKey of 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
The InChIKey is VHSNAZSWOASYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N3O2/c1-13(2)7-11(16)8-14-3-5-15(6-4-14)9-12(17)10-15/h11-12,16-17H,3-10H2,1-2H3/q+1.
What are the key properties of 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol?
7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol has a molecular weight of 244.36 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)-2-hydroxypropyl]-7-aza-4-azoniaspiro[3.5]nonan-2-ol is sourced from PubChem (CID 118283225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).