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

C8H17NO2 — CID 22308833

IUPAC1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H17NO2/c1-8(2)10-6-7(11-8)5-9(3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyLRRBZVOWJUSICM-ZETCQYMHSA-N
MW159.23 g/mol
LogP0.70
Rot. Bonds2

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

1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine (PubChem CID 22308833) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
PubChem CID22308833
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H17NO2/c1-8(2)10-6-7(11-8)5-9(3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyLRRBZVOWJUSICM-ZETCQYMHSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
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,N-dimethylmethanamine?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine (CID 22308833) is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine?
The InChIKey is LRRBZVOWJUSICM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2)10-6-7(11-8)5-9(3)4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine?
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 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,N-dimethylmethanamine is sourced from PubChem (CID 22308833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).