(4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine

C6H13NO2 — CID 69292156

IUPAC(4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine
SMILESCN[C@H]1COC(C)(C)O1
InChIInChI=1S/C6H13NO2/c1-6(2)8-4-5(7-3)9-6/h5,7H,4H2,1-3H3/t5-/m1/s1
InChIKeyKSUOODHGNBDGGQ-RXMQYKEDSA-N
MW131.17 g/mol
LogP0.31
Rot. Bonds1

About (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine

(4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine (PubChem CID 69292156) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine.

Molecular Properties

Compound Name(4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine
PubChem CID69292156
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine
SMILESCN[C@H]1COC(C)(C)O1
InChIInChI=1S/C6H13NO2/c1-6(2)8-4-5(7-3)9-6/h5,7H,4H2,1-3H3/t5-/m1/s1
InChIKeyKSUOODHGNBDGGQ-RXMQYKEDSA-N
XLogP0.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine?
The IUPAC name of (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine (CID 69292156) is (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine.
What is the SMILES notation for (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine?
The canonical SMILES for (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine is CN[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine?
The InChIKey is KSUOODHGNBDGGQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2)8-4-5(7-3)9-6/h5,7H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine?
(4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine has a molecular weight of 131.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,2,2-trimethyl-1,3-dioxolan-4-amine is sourced from PubChem (CID 69292156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).