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

C10H21NO4 — CID 106187901

IUPAC2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1COC(C)(C)OC1
InChIInChI=1S/C10H21NO4/c1-10(2)14-6-9(7-15-10)11-8(4-12)5-13-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyBAPGSHCATBDXNA-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.27
Rot. Bonds5

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

2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106187901) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol
PubChem CID106187901
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1COC(C)(C)OC1
InChIInChI=1S/C10H21NO4/c1-10(2)14-6-9(7-15-10)11-8(4-12)5-13-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyBAPGSHCATBDXNA-UHFFFAOYSA-N
XLogP-0.27
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol (CID 106187901) is 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol is COCC(CO)NC1COC(C)(C)OC1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is BAPGSHCATBDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2)14-6-9(7-15-10)11-8(4-12)5-13-3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol?
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 219.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106187901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).