[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine

C9H20N2O2 — CID 22852073

IUPAC[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)CC1O[C@H](CN)[C@@H](CN)O1
InChIInChI=1S/C9H20N2O2/c1-6(2)3-9-12-7(4-10)8(5-11)13-9/h6-9H,3-5,10-11H2,1-2H3/t7-,8-/m1/s1
InChIKeyYWUQXOIKJVOHMA-HTQZYQBOSA-N
MW188.27 g/mol
LogP0.06
Rot. Bonds4

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

[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 22852073) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID22852073
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)CC1O[C@H](CN)[C@@H](CN)O1
InChIInChI=1S/C9H20N2O2/c1-6(2)3-9-12-7(4-10)8(5-11)13-9/h6-9H,3-5,10-11H2,1-2H3/t7-,8-/m1/s1
InChIKeyYWUQXOIKJVOHMA-HTQZYQBOSA-N
XLogP0.06
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine (CID 22852073) is [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine is CC(C)CC1O[C@H](CN)[C@@H](CN)O1.
What is the InChIKey of [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is YWUQXOIKJVOHMA-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)3-9-12-7(4-10)8(5-11)13-9/h6-9H,3-5,10-11H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine?
[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 188.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 22852073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).