1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine

C7H15NO2 — CID 22308835

IUPAC1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
SMILESCNC[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H15NO2/c1-7(2)9-5-6(10-7)4-8-3/h6,8H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWHOSTRMGZDFYCI-LURJTMIESA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds2

About 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine

1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine (PubChem CID 22308835) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
PubChem CID22308835
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
SMILESCNC[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H15NO2/c1-7(2)9-5-6(10-7)4-8-3/h6,8H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyWHOSTRMGZDFYCI-LURJTMIESA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine (CID 22308835) is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine is CNC[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
The InChIKey is WHOSTRMGZDFYCI-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2)9-5-6(10-7)4-8-3/h6,8H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine?
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 22308835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).