2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine

C12H25NO2 — CID 159914721

IUPAC2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine
SMILESCCCN(C)C1COC(C(C)(C)C)OC1
InChIInChI=1S/C12H25NO2/c1-6-7-13(5)10-8-14-11(15-9-10)12(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyNXQACSYUWXAGKK-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.12
Rot. Bonds3

About 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine

2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine (PubChem CID 159914721) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine
PubChem CID159914721
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine
SMILESCCCN(C)C1COC(C(C)(C)C)OC1
InChIInChI=1S/C12H25NO2/c1-6-7-13(5)10-8-14-11(15-9-10)12(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyNXQACSYUWXAGKK-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine?
The IUPAC name of 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine (CID 159914721) is 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine is CCCN(C)C1COC(C(C)(C)C)OC1.
What is the InChIKey of 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine?
The InChIKey is NXQACSYUWXAGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-7-13(5)10-8-14-11(15-9-10)12(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine?
2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine has a molecular weight of 215.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-N-propyl-1,3-dioxan-5-amine is sourced from PubChem (CID 159914721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).