[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine

C8H18N2O2 — CID 10442253

IUPAC[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine
SMILESCC(C)C1O[C@H]([14CH2]N)[C@@H]([14CH2]N)O1
InChIInChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m1/s1/i3+2,4+2
InChIKeyUUOFRXDFODYHPC-PQKXFNFRSA-N
MW178.23 g/mol
LogP-0.33
Rot. Bonds3

About [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine

[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine (PubChem CID 10442253) has the molecular formula C8H18N2O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine.

Molecular Properties

Compound Name[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine
PubChem CID10442253
Molecular FormulaC8H18N2O2
Molecular Weight178.23 g/mol
Exact Mass178.14
IUPAC Name[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine
SMILESCC(C)C1O[C@H]([14CH2]N)[C@@H]([14CH2]N)O1
InChIInChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m1/s1/i3+2,4+2
InChIKeyUUOFRXDFODYHPC-PQKXFNFRSA-N
XLogP-0.33
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine with MolForge

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Related Compounds

6-propan-2-yl-1,3,5-trioxane-2,4-diamine
CID 163802342
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
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203
4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
CID 118673252
2-propan-2-yl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 171620800
4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66916406

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine?
The IUPAC name of [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine (CID 10442253) is [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine.
What is the SMILES notation for [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine?
The canonical SMILES for [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine is CC(C)C1O[C@H]([14CH2]N)[C@@H]([14CH2]N)O1.
What is the InChIKey of [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine?
The InChIKey is UUOFRXDFODYHPC-PQKXFNFRSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m1/s1/i3+2,4+2.
What are the key properties of [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine?
[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine has a molecular weight of 178.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine is sourced from PubChem (CID 10442253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).