2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine

C18H35NO7 — CID 167221514

IUPAC2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC1(C)O[C@@H]2[C@@H](CCO[C@]2(C)COCCOCCOCCOCCN)O1
InChIInChI=1S/C18H35NO7/c1-17(2)25-15-4-6-24-18(3,16(15)26-17)14-23-13-12-22-11-10-21-9-8-20-7-5-19/h15-16H,4-14,19H2,1-3H3/t15-,16-,18-/m1/s1
InChIKeyORHYIWLSXCULJM-JFIYKMOQSA-N
MW377.48 g/mol
LogP0.71
Rot. Bonds13

About 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 167221514) has the molecular formula C18H35NO7 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID167221514
Molecular FormulaC18H35NO7
Molecular Weight377.48 g/mol
Exact Mass377.24
IUPAC Name2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC1(C)O[C@@H]2[C@@H](CCO[C@]2(C)COCCOCCOCCOCCN)O1
InChIInChI=1S/C18H35NO7/c1-17(2)25-15-4-6-24-18(3,16(15)26-17)14-23-13-12-22-11-10-21-9-8-20-7-5-19/h15-16H,4-14,19H2,1-3H3/t15-,16-,18-/m1/s1
InChIKeyORHYIWLSXCULJM-JFIYKMOQSA-N
XLogP0.71
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine with MolForge

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Related Compounds

[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 129015256
2-[2-[2-[2-[[(1S,2R,6R,8S)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 129015442
2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde
CID 123985078
(1S,2R,6R,8S)-4,4-dimethyl-1-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecane
CID 129136836
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
2-[2-(oxolan-3-yloxy)ethoxy]ethanamine
CID 103482534
2-[2-[2-[2-[[(1R,2R,6R,7S,8R)-7-acetamido-4,4-dimethyl-3,5,11-trioxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 129015260
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
2-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethoxy]ethanamine
CID 126845185
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
CID 169214399
CID 169214399
3-[(1-methylcyclopropyl)methoxy]propan-1-amine
CID 71773693

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 167221514) is 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine is CC1(C)O[C@@H]2[C@@H](CCO[C@]2(C)COCCOCCOCCOCCN)O1.
What is the InChIKey of 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is ORHYIWLSXCULJM-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H35NO7/c1-17(2)25-15-4-6-24-18(3,16(15)26-17)14-23-13-12-22-11-10-21-9-8-20-7-5-19/h15-16H,4-14,19H2,1-3H3/t15-,16-,18-/m1/s1.
What are the key properties of 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 377.48 g/mol, XLogP of 0.71, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 167221514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).