6-propan-2-yl-1,3,5-trioxane-2,4-diamine

C6H14N2O3 — CID 163802342

IUPAC6-propan-2-yl-1,3,5-trioxane-2,4-diamine
SMILESCC(C)C1OC(N)OC(N)O1
InChIInChI=1S/C6H14N2O3/c1-3(2)4-9-5(7)11-6(8)10-4/h3-6H,7-8H2,1-2H3
InChIKeyHLFVXYKKYBLZSR-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.48
Rot. Bonds1

About 6-propan-2-yl-1,3,5-trioxane-2,4-diamine

6-propan-2-yl-1,3,5-trioxane-2,4-diamine (PubChem CID 163802342) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-propan-2-yl-1,3,5-trioxane-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yl-1,3,5-trioxane-2,4-diamine
PubChem CID163802342
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name6-propan-2-yl-1,3,5-trioxane-2,4-diamine
SMILESCC(C)C1OC(N)OC(N)O1
InChIInChI=1S/C6H14N2O3/c1-3(2)4-9-5(7)11-6(8)10-4/h3-6H,7-8H2,1-2H3
InChIKeyHLFVXYKKYBLZSR-UHFFFAOYSA-N
XLogP-0.48
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine
CID 10442253
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203
2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium
CID 12865666
2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 177293546
diethyl (4S,5S)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
CID 22852087
(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
CID 101050085
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid
CID 6918271
5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane
CID 13054581
4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
CID 118673252
(3R,4R,6R)-3-amino-2-methyl-6-propan-2-yloxan-4-ol
CID 89411183
2-propan-2-yl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 171620800

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,3,5-trioxane-2,4-diamine?
The IUPAC name of 6-propan-2-yl-1,3,5-trioxane-2,4-diamine (CID 163802342) is 6-propan-2-yl-1,3,5-trioxane-2,4-diamine.
What is the SMILES notation for 6-propan-2-yl-1,3,5-trioxane-2,4-diamine?
The canonical SMILES for 6-propan-2-yl-1,3,5-trioxane-2,4-diamine is CC(C)C1OC(N)OC(N)O1.
What is the InChIKey of 6-propan-2-yl-1,3,5-trioxane-2,4-diamine?
The InChIKey is HLFVXYKKYBLZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-3(2)4-9-5(7)11-6(8)10-4/h3-6H,7-8H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,3,5-trioxane-2,4-diamine?
6-propan-2-yl-1,3,5-trioxane-2,4-diamine has a molecular weight of 162.19 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,3,5-trioxane-2,4-diamine is sourced from PubChem (CID 163802342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).