[(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium

C10H24N2O2+2 — CID 7039474

IUPAC[(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium
SMILESCC(C)(C)C1(C)O[C@H](C[NH3+])[C@@H](C[NH3+])O1
InChIInChI=1S/C10H22N2O2/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8H,5-6,11-12H2,1-4H3/p+2/t7-,8-/m1/s1
InChIKeyNEQOBKBUKJPBOL-HTQZYQBOSA-P
MW204.31 g/mol
LogP-0.98
Rot. Bonds2

About [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium

[(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium (PubChem CID 7039474) has the molecular formula C10H24N2O2+2 and a molecular weight of 204.31 g/mol. Its IUPAC name is [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium.

Molecular Properties

Compound Name[(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium
PubChem CID7039474
Molecular FormulaC10H24N2O2+2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name[(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium
SMILESCC(C)(C)C1(C)O[C@H](C[NH3+])[C@@H](C[NH3+])O1
InChIInChI=1S/C10H22N2O2/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8H,5-6,11-12H2,1-4H3/p+2/t7-,8-/m1/s1
InChIKeyNEQOBKBUKJPBOL-HTQZYQBOSA-P
XLogP-0.98
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium?
The IUPAC name of [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium (CID 7039474) is [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium.
What is the SMILES notation for [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium?
The canonical SMILES for [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium is CC(C)(C)C1(C)O[C@H](C[NH3+])[C@@H](C[NH3+])O1.
What is the InChIKey of [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium?
The InChIKey is NEQOBKBUKJPBOL-HTQZYQBOSA-P. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8H,5-6,11-12H2,1-4H3/p+2/t7-,8-/m1/s1.
What are the key properties of [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium?
[(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium has a molecular weight of 204.31 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(azaniumylmethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methylazanium is sourced from PubChem (CID 7039474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).