N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine

C12H25NO2 — CID 14959342

IUPACN-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine
SMILESCCN(CC)CC1(C)COC(C)(C)OC1
InChIInChI=1S/C12H25NO2/c1-6-13(7-2)8-12(5)9-14-11(3,4)15-10-12/h6-10H2,1-5H3
InChIKeyMWGYVHHNMBEIDD-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.12
Rot. Bonds4

About N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine

N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine (PubChem CID 14959342) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine
PubChem CID14959342
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine
SMILESCCN(CC)CC1(C)COC(C)(C)OC1
InChIInChI=1S/C12H25NO2/c1-6-13(7-2)8-12(5)9-14-11(3,4)15-10-12/h6-10H2,1-5H3
InChIKeyMWGYVHHNMBEIDD-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine (CID 14959342) is N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine is CCN(CC)CC1(C)COC(C)(C)OC1.
What is the InChIKey of N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine?
The InChIKey is MWGYVHHNMBEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-13(7-2)8-12(5)9-14-11(3,4)15-10-12/h6-10H2,1-5H3.
What are the key properties of N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine?
N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine has a molecular weight of 215.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]ethanamine is sourced from PubChem (CID 14959342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).