1,3-dimethoxy-N-propan-2-ylpropan-2-amine

C8H19NO2 — CID 134479894

IUPAC1,3-dimethoxy-N-propan-2-ylpropan-2-amine
SMILESCOCC(COC)NC(C)C
InChIInChI=1S/C8H19NO2/c1-7(2)9-8(5-10-3)6-11-4/h7-9H,5-6H2,1-4H3
InChIKeyBPYCSLVGLQIXPT-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.65
Rot. Bonds6

About 1,3-dimethoxy-N-propan-2-ylpropan-2-amine

1,3-dimethoxy-N-propan-2-ylpropan-2-amine (PubChem CID 134479894) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,3-dimethoxy-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1,3-dimethoxy-N-propan-2-ylpropan-2-amine
PubChem CID134479894
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name1,3-dimethoxy-N-propan-2-ylpropan-2-amine
SMILESCOCC(COC)NC(C)C
InChIInChI=1S/C8H19NO2/c1-7(2)9-8(5-10-3)6-11-4/h7-9H,5-6H2,1-4H3
InChIKeyBPYCSLVGLQIXPT-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1,3-dimethoxy-N-propan-2-ylpropan-2-amine (CID 134479894) is 1,3-dimethoxy-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1,3-dimethoxy-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1,3-dimethoxy-N-propan-2-ylpropan-2-amine is COCC(COC)NC(C)C.
What is the InChIKey of 1,3-dimethoxy-N-propan-2-ylpropan-2-amine?
The InChIKey is BPYCSLVGLQIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2)9-8(5-10-3)6-11-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethoxy-N-propan-2-ylpropan-2-amine?
1,3-dimethoxy-N-propan-2-ylpropan-2-amine has a molecular weight of 161.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 134479894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).