N-methyl-2-propan-2-yl-1,3-dioxan-5-amine

C8H17NO2 — CID 45096084

IUPACN-methyl-2-propan-2-yl-1,3-dioxan-5-amine
SMILESCNC1COC(C(C)C)OC1
InChIInChI=1S/C8H17NO2/c1-6(2)8-10-4-7(9-3)5-11-8/h6-9H,4-5H2,1-3H3
InChIKeyWDEGJGVLFFTXEZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.60
Rot. Bonds2

About N-methyl-2-propan-2-yl-1,3-dioxan-5-amine

N-methyl-2-propan-2-yl-1,3-dioxan-5-amine (PubChem CID 45096084) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-1,3-dioxan-5-amine
PubChem CID45096084
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-methyl-2-propan-2-yl-1,3-dioxan-5-amine
SMILESCNC1COC(C(C)C)OC1
InChIInChI=1S/C8H17NO2/c1-6(2)8-10-4-7(9-3)5-11-8/h6-9H,4-5H2,1-3H3
InChIKeyWDEGJGVLFFTXEZ-UHFFFAOYSA-N
XLogP0.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-1,3-dioxan-5-amine?
The IUPAC name of N-methyl-2-propan-2-yl-1,3-dioxan-5-amine (CID 45096084) is N-methyl-2-propan-2-yl-1,3-dioxan-5-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-1,3-dioxan-5-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-1,3-dioxan-5-amine is CNC1COC(C(C)C)OC1.
What is the InChIKey of N-methyl-2-propan-2-yl-1,3-dioxan-5-amine?
The InChIKey is WDEGJGVLFFTXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)8-10-4-7(9-3)5-11-8/h6-9H,4-5H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-1,3-dioxan-5-amine?
N-methyl-2-propan-2-yl-1,3-dioxan-5-amine has a molecular weight of 159.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-1,3-dioxan-5-amine is sourced from PubChem (CID 45096084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).