[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium

C7H18N2O2+2 — CID 6943508

IUPAC[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium
SMILESCC1(C)O[C@@H](C[NH3+])[C@H](C[NH3+])O1
InChIInChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3/p+2/t5-,6-/m0/s1
InChIKeyKQGQLRAYJUXGOW-WDSKDSINSA-P
MW162.23 g/mol
LogP-2.01
Rot. Bonds2

About [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium

[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium (PubChem CID 6943508) has the molecular formula C7H18N2O2+2 and a molecular weight of 162.23 g/mol. Its IUPAC name is [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium.

Molecular Properties

Compound Name[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium
PubChem CID6943508
Molecular FormulaC7H18N2O2+2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium
SMILESCC1(C)O[C@@H](C[NH3+])[C@H](C[NH3+])O1
InChIInChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3/p+2/t5-,6-/m0/s1
InChIKeyKQGQLRAYJUXGOW-WDSKDSINSA-P
XLogP-2.01
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium?
The IUPAC name of [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium (CID 6943508) is [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium.
What is the SMILES notation for [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium?
The canonical SMILES for [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium is CC1(C)O[C@@H](C[NH3+])[C@H](C[NH3+])O1.
What is the InChIKey of [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium?
The InChIKey is KQGQLRAYJUXGOW-WDSKDSINSA-P. The full InChI is InChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3/p+2/t5-,6-/m0/s1.
What are the key properties of [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium?
[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium has a molecular weight of 162.23 g/mol, XLogP of -2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium is sourced from PubChem (CID 6943508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).