2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine

C17H31NO7 — CID 163565104

IUPAC2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine
SMILESCC(COCCN)OC1C2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1
InChIInChI=1S/C17H31NO7/c1-10(8-19-7-6-18)21-13-12(11-9-20-16(2,3)23-11)22-15-14(13)24-17(4,5)25-15/h10-15H,6-9,18H2,1-5H3/t10?,11?,12-,13?,14?,15-/m1/s1
InChIKeyFUNCTTAUHALHRG-KZSNKCBBSA-N
MW361.44 g/mol
LogP0.76
Rot. Bonds7

About 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine

2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine (PubChem CID 163565104) has the molecular formula C17H31NO7 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine
PubChem CID163565104
Molecular FormulaC17H31NO7
Molecular Weight361.44 g/mol
Exact Mass361.21
IUPAC Name2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine
SMILESCC(COCCN)OC1C2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1
InChIInChI=1S/C17H31NO7/c1-10(8-19-7-6-18)21-13-12(11-9-20-16(2,3)23-11)22-15-14(13)24-17(4,5)25-15/h10-15H,6-9,18H2,1-5H3/t10?,11?,12-,13?,14?,15-/m1/s1
InChIKeyFUNCTTAUHALHRG-KZSNKCBBSA-N
XLogP0.76
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine?
The IUPAC name of 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine (CID 163565104) is 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine.
What is the SMILES notation for 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine?
The canonical SMILES for 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine is CC(COCCN)OC1C2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1.
What is the InChIKey of 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine?
The InChIKey is FUNCTTAUHALHRG-KZSNKCBBSA-N. The full InChI is InChI=1S/C17H31NO7/c1-10(8-19-7-6-18)21-13-12(11-9-20-16(2,3)23-11)22-15-14(13)24-17(4,5)25-15/h10-15H,6-9,18H2,1-5H3/t10?,11?,12-,13?,14?,15-/m1/s1.
What are the key properties of 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine?
2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine has a molecular weight of 361.44 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propoxy]ethanamine is sourced from PubChem (CID 163565104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).