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

C7H16N2O2 — CID 14537230

IUPAC[5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine
SMILESCC1OCC(CN)(CN)CO1
InChIInChI=1S/C7H16N2O2/c1-6-10-4-7(2-8,3-9)5-11-6/h6H,2-5,8-9H2,1H3
InChIKeyMNNKUKOMGFARPE-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.72
Rot. Bonds2

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

[5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine (PubChem CID 14537230) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine
PubChem CID14537230
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name[5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine
SMILESCC1OCC(CN)(CN)CO1
InChIInChI=1S/C7H16N2O2/c1-6-10-4-7(2-8,3-9)5-11-6/h6H,2-5,8-9H2,1H3
InChIKeyMNNKUKOMGFARPE-UHFFFAOYSA-N
XLogP-0.72
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-1,3-dioxan-5-yl)methanamine
CID 175951826
diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
CID 15130485
[(3S,4S)-3,4-dimethyl-1-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]cyclopentyl]methanamine
CID 69176301
methane;2-methyl-1,3-dioxane
CID 144526875
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82740458
3-[3-(aminomethyl)oxolan-3-yl]-2-methyloxolan-3-ol
CID 82721047
2-methyl-1,3-dioxan-5-amine
CID 20522526
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
[1-[(5-methyloxolan-2-yl)methyl]cyclopentyl]methanamine
CID 103138397
(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine
CID 155895836
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine?
The IUPAC name of [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine (CID 14537230) is [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine is CC1OCC(CN)(CN)CO1.
What is the InChIKey of [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine?
The InChIKey is MNNKUKOMGFARPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6-10-4-7(2-8,3-9)5-11-6/h6H,2-5,8-9H2,1H3.
What are the key properties of [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine?
[5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine has a molecular weight of 160.22 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-methyl-1,3-dioxan-5-yl]methanamine is sourced from PubChem (CID 14537230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).