4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine

C12H20N2O2 — CID 135211589

IUPAC4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine
SMILESCOC(CCCN)(OC)c1ccnc(C)c1
InChIInChI=1S/C12H20N2O2/c1-10-9-11(5-8-14-10)12(15-2,16-3)6-4-7-13/h5,8-9H,4,6-7,13H2,1-3H3
InChIKeyWMILCBLPUQLZBP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.57
Rot. Bonds6

About 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine

4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine (PubChem CID 135211589) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine
PubChem CID135211589
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine
SMILESCOC(CCCN)(OC)c1ccnc(C)c1
InChIInChI=1S/C12H20N2O2/c1-10-9-11(5-8-14-10)12(15-2,16-3)6-4-7-13/h5,8-9H,4,6-7,13H2,1-3H3
InChIKeyWMILCBLPUQLZBP-UHFFFAOYSA-N
XLogP1.57
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine?
The IUPAC name of 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine (CID 135211589) is 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine.
What is the SMILES notation for 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine?
The canonical SMILES for 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine is COC(CCCN)(OC)c1ccnc(C)c1.
What is the InChIKey of 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine?
The InChIKey is WMILCBLPUQLZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-9-11(5-8-14-10)12(15-2,16-3)6-4-7-13/h5,8-9H,4,6-7,13H2,1-3H3.
What are the key properties of 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine?
4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-4-(2-methyl-4-pyridinyl)butan-1-amine is sourced from PubChem (CID 135211589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).