2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol

C9H19NO3 — CID 81102671

IUPAC2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CCOCO1
InChIInChI=1S/C9H19NO3/c1-9(2,6-11)10-5-8-3-4-12-7-13-8/h8,10-11H,3-7H2,1-2H3
InChIKeyPWCQHVJGVBUYHZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.11
Rot. Bonds4

About 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol

2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol (PubChem CID 81102671) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol
PubChem CID81102671
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC1CCOCO1
InChIInChI=1S/C9H19NO3/c1-9(2,6-11)10-5-8-3-4-12-7-13-8/h8,10-11H,3-7H2,1-2H3
InChIKeyPWCQHVJGVBUYHZ-UHFFFAOYSA-N
XLogP0.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol (CID 81102671) is 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol is CC(C)(CO)NCC1CCOCO1.
What is the InChIKey of 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol?
The InChIKey is PWCQHVJGVBUYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,6-11)10-5-8-3-4-12-7-13-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol?
2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol has a molecular weight of 189.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 81102671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).