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

C6H13NO2 — CID 175951826

IUPAC(2-methyl-1,3-dioxan-5-yl)methanamine
SMILESCC1OCC(CN)CO1
InChIInChI=1S/C6H13NO2/c1-5-8-3-6(2-7)4-9-5/h5-6H,2-4,7H2,1H3
InChIKeyKHVSJZCNFGQPRJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.05
Rot. Bonds1

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

(2-methyl-1,3-dioxan-5-yl)methanamine (PubChem CID 175951826) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2-methyl-1,3-dioxan-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,3-dioxan-5-yl)methanamine
PubChem CID175951826
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2-methyl-1,3-dioxan-5-yl)methanamine
SMILESCC1OCC(CN)CO1
InChIInChI=1S/C6H13NO2/c1-5-8-3-6(2-7)4-9-5/h5-6H,2-4,7H2,1H3
InChIKeyKHVSJZCNFGQPRJ-UHFFFAOYSA-N
XLogP-0.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxan-5-yl)methanamine?
The IUPAC name of (2-methyl-1,3-dioxan-5-yl)methanamine (CID 175951826) is (2-methyl-1,3-dioxan-5-yl)methanamine.
What is the SMILES notation for (2-methyl-1,3-dioxan-5-yl)methanamine?
The canonical SMILES for (2-methyl-1,3-dioxan-5-yl)methanamine is CC1OCC(CN)CO1.
What is the InChIKey of (2-methyl-1,3-dioxan-5-yl)methanamine?
The InChIKey is KHVSJZCNFGQPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5-8-3-6(2-7)4-9-5/h5-6H,2-4,7H2,1H3.
What are the key properties of (2-methyl-1,3-dioxan-5-yl)methanamine?
(2-methyl-1,3-dioxan-5-yl)methanamine has a molecular weight of 131.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxan-5-yl)methanamine is sourced from PubChem (CID 175951826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).