3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol

C15H29NO5 — CID 20812561

IUPAC3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol
SMILESCC1(C)OCC(N(CCCO)C2COC(C)(C)OC2)CO1
InChIInChI=1S/C15H29NO5/c1-14(2)18-8-12(9-19-14)16(6-5-7-17)13-10-20-15(3,4)21-11-13/h12-13,17H,5-11H2,1-4H3
InChIKeyTUCYSGNJXXKVOC-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.97
Rot. Bonds5

About 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol

3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol (PubChem CID 20812561) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol
PubChem CID20812561
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol
SMILESCC1(C)OCC(N(CCCO)C2COC(C)(C)OC2)CO1
InChIInChI=1S/C15H29NO5/c1-14(2)18-8-12(9-19-14)16(6-5-7-17)13-10-20-15(3,4)21-11-13/h12-13,17H,5-11H2,1-4H3
InChIKeyTUCYSGNJXXKVOC-UHFFFAOYSA-N
XLogP0.97
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dicyclopropylamino)propan-1-ol
CID 146482071
3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
CID 102858387
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106658058
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495
5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane;2-(2,2-dimethyl-1,3-dioxan-5-yl)ethanol
CID 161359020
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
2-[3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propoxy]ethanol
CID 106309374
(1S,7R)-4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
CID 11029957
3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol
CID 82746138
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
CID 107390241
N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide
CID 142016714

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol (CID 20812561) is 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol is CC1(C)OCC(N(CCCO)C2COC(C)(C)OC2)CO1.
What is the InChIKey of 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol?
The InChIKey is TUCYSGNJXXKVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-14(2)18-8-12(9-19-14)16(6-5-7-17)13-10-20-15(3,4)21-11-13/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol?
3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol has a molecular weight of 303.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2,2-dimethyl-1,3-dioxan-5-yl)amino]propan-1-ol is sourced from PubChem (CID 20812561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).