[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

C6H14N2O2 — CID 10103303

IUPAC[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1O[C@@H](CN)[C@H](CN)O1
InChIInChI=1S/C6H14N2O2/c1-4-9-5(2-7)6(3-8)10-4/h4-6H,2-3,7-8H2,1H3/t5-,6-/m0/s1
InChIKeyVYOOYBJLWWTBDP-WDSKDSINSA-N
MW146.19 g/mol
LogP-0.97
Rot. Bonds2

About [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine

[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 10103303) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
PubChem CID10103303
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1O[C@@H](CN)[C@H](CN)O1
InChIInChI=1S/C6H14N2O2/c1-4-9-5(2-7)6(3-8)10-4/h4-6H,2-3,7-8H2,1H3/t5-,6-/m0/s1
InChIKeyVYOOYBJLWWTBDP-WDSKDSINSA-N
XLogP-0.97
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (CID 10103303) is [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is CC1O[C@@H](CN)[C@H](CN)O1.
What is the InChIKey of [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is VYOOYBJLWWTBDP-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4-9-5(2-7)6(3-8)10-4/h4-6H,2-3,7-8H2,1H3/t5-,6-/m0/s1.
What are the key properties of [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 146.19 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 10103303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).