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

C8H17NO2 — CID 14959341

IUPAC(2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine
SMILESCC1(CN)COC(C)(C)OC1
InChIInChI=1S/C8H17NO2/c1-7(2)10-5-8(3,4-9)6-11-7/h4-6,9H2,1-3H3
InChIKeyHKLVVLAOCTWOEG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.73
Rot. Bonds1

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

(2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine (PubChem CID 14959341) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine.

Molecular Properties

Compound Name(2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine
PubChem CID14959341
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine
SMILESCC1(CN)COC(C)(C)OC1
InChIInChI=1S/C8H17NO2/c1-7(2)10-5-8(3,4-9)6-11-7/h4-6,9H2,1-3H3
InChIKeyHKLVVLAOCTWOEG-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine?
The IUPAC name of (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine (CID 14959341) is (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine.
What is the SMILES notation for (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine?
The canonical SMILES for (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine is CC1(CN)COC(C)(C)OC1.
What is the InChIKey of (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine?
The InChIKey is HKLVVLAOCTWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)10-5-8(3,4-9)6-11-7/h4-6,9H2,1-3H3.
What are the key properties of (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine?
(2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine has a molecular weight of 159.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5-trimethyl-1,3-dioxan-5-yl)methanamine is sourced from PubChem (CID 14959341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).