(2,2-dimethyl-1,3-dioxan-5-yl)methanamine

C7H15NO2 — CID 68789457

IUPAC(2,2-dimethyl-1,3-dioxan-5-yl)methanamine
SMILESCC1(C)OCC(CN)CO1
InChIInChI=1S/C7H15NO2/c1-7(2)9-4-6(3-8)5-10-7/h6H,3-5,8H2,1-2H3
InChIKeyXHYYPPCHMKLTQI-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.34
Rot. Bonds1

About (2,2-dimethyl-1,3-dioxan-5-yl)methanamine

(2,2-dimethyl-1,3-dioxan-5-yl)methanamine (PubChem CID 68789457) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxan-5-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxan-5-yl)methanamine
PubChem CID68789457
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2,2-dimethyl-1,3-dioxan-5-yl)methanamine
SMILESCC1(C)OCC(CN)CO1
InChIInChI=1S/C7H15NO2/c1-7(2)9-4-6(3-8)5-10-7/h6H,3-5,8H2,1-2H3
InChIKeyXHYYPPCHMKLTQI-UHFFFAOYSA-N
XLogP0.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxan-5-yl)methanamine?
The IUPAC name of (2,2-dimethyl-1,3-dioxan-5-yl)methanamine (CID 68789457) is (2,2-dimethyl-1,3-dioxan-5-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxan-5-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-1,3-dioxan-5-yl)methanamine is CC1(C)OCC(CN)CO1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxan-5-yl)methanamine?
The InChIKey is XHYYPPCHMKLTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2)9-4-6(3-8)5-10-7/h6H,3-5,8H2,1-2H3.
What are the key properties of (2,2-dimethyl-1,3-dioxan-5-yl)methanamine?
(2,2-dimethyl-1,3-dioxan-5-yl)methanamine has a molecular weight of 145.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxan-5-yl)methanamine is sourced from PubChem (CID 68789457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).