1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine

C9H20N2O2 — CID 12007967

IUPAC1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine
SMILESCNC[C@@H]1OC(C)(C)O[C@H]1CNC
InChIInChI=1S/C9H20N2O2/c1-9(2)12-7(5-10-3)8(13-9)6-11-4/h7-8,10-11H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyCCKQXWKDZPBKFT-YUMQZZPRSA-N
MW188.27 g/mol
LogP-0.05
Rot. Bonds4

About 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine

1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine (PubChem CID 12007967) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine
PubChem CID12007967
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine
SMILESCNC[C@@H]1OC(C)(C)O[C@H]1CNC
InChIInChI=1S/C9H20N2O2/c1-9(2)12-7(5-10-3)8(13-9)6-11-4/h7-8,10-11H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyCCKQXWKDZPBKFT-YUMQZZPRSA-N
XLogP-0.05
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine (CID 12007967) is 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine is CNC[C@@H]1OC(C)(C)O[C@H]1CNC.
What is the InChIKey of 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine?
The InChIKey is CCKQXWKDZPBKFT-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2)12-7(5-10-3)8(13-9)6-11-4/h7-8,10-11H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine?
1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine has a molecular weight of 188.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5S)-2,2-dimethyl-5-(methylaminomethyl)-1,3-dioxolan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 12007967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).