[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine

C8H17NO2 — CID 58158410

IUPAC[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC[C@@H]1OC(C)(C)O[C@H]1CN
InChIInChI=1S/C8H17NO2/c1-4-6-7(5-9)11-8(2,3)10-6/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1
InChIKeyFEJJRKOQQQEHKK-BQBZGAKWSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds2

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

[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 58158410) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
PubChem CID58158410
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC[C@@H]1OC(C)(C)O[C@H]1CN
InChIInChI=1S/C8H17NO2/c1-4-6-7(5-9)11-8(2,3)10-6/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1
InChIKeyFEJJRKOQQQEHKK-BQBZGAKWSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (CID 58158410) is [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is CC[C@@H]1OC(C)(C)O[C@H]1CN.
What is the InChIKey of [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is FEJJRKOQQQEHKK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6-7(5-9)11-8(2,3)10-6/h6-7H,4-5,9H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 159.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 58158410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).