(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine

C7H15NO2 — CID 15316547

IUPAC(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESC[C@@H](N)[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H15NO2/c1-5(8)6-4-9-7(2,3)10-6/h5-6H,4,8H2,1-3H3/t5-,6-/m1/s1
InChIKeyIGVMHZDCIZWZGY-PHDIDXHHSA-N
MW145.20 g/mol
LogP0.49
Rot. Bonds1

About (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine

(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine (PubChem CID 15316547) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
PubChem CID15316547
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESC[C@@H](N)[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H15NO2/c1-5(8)6-4-9-7(2,3)10-6/h5-6H,4,8H2,1-3H3/t5-,6-/m1/s1
InChIKeyIGVMHZDCIZWZGY-PHDIDXHHSA-N
XLogP0.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine (CID 15316547) is (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine is C[C@@H](N)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is IGVMHZDCIZWZGY-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(8)6-4-9-7(2,3)10-6/h5-6H,4,8H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 15316547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).