3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine

C18H35NO6 — CID 172549169

IUPAC3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine
SMILESCC1(C)OCC(COCC(CN)COCC2COC(C)(C)OC2)CO1
InChIInChI=1S/C18H35NO6/c1-17(2)22-10-15(11-23-17)8-20-6-14(5-19)7-21-9-16-12-24-18(3,4)25-13-16/h14-16H,5-13,19H2,1-4H3
InChIKeyDKIBMEBXSWRPGI-UHFFFAOYSA-N
MW361.48 g/mol
LogP1.39
Rot. Bonds9

About 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine

3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine (PubChem CID 172549169) has the molecular formula C18H35NO6 and a molecular weight of 361.48 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine
PubChem CID172549169
Molecular FormulaC18H35NO6
Molecular Weight361.48 g/mol
Exact Mass361.25
IUPAC Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine
SMILESCC1(C)OCC(COCC(CN)COCC2COC(C)(C)OC2)CO1
InChIInChI=1S/C18H35NO6/c1-17(2)22-10-15(11-23-17)8-20-6-14(5-19)7-21-9-16-12-24-18(3,4)25-13-16/h14-16H,5-13,19H2,1-4H3
InChIKeyDKIBMEBXSWRPGI-UHFFFAOYSA-N
XLogP1.39
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine (CID 172549169) is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine is CC1(C)OCC(COCC(CN)COCC2COC(C)(C)OC2)CO1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine?
The InChIKey is DKIBMEBXSWRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO6/c1-17(2)22-10-15(11-23-17)8-20-6-14(5-19)7-21-9-16-12-24-18(3,4)25-13-16/h14-16H,5-13,19H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine?
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine has a molecular weight of 361.48 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]propan-1-amine is sourced from PubChem (CID 172549169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).