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

C9H21NO2 — CID 11008441

IUPAC1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCOC(OC)C(C)(C)NC(C)C
InChIInChI=1S/C9H21NO2/c1-7(2)10-9(3,4)8(11-5)12-6/h7-8,10H,1-6H3
InChIKeyTXNCWSHJRWGNOE-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.38
Rot. Bonds5

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

1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine (PubChem CID 11008441) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine
PubChem CID11008441
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCOC(OC)C(C)(C)NC(C)C
InChIInChI=1S/C9H21NO2/c1-7(2)10-9(3,4)8(11-5)12-6/h7-8,10H,1-6H3
InChIKeyTXNCWSHJRWGNOE-UHFFFAOYSA-N
XLogP1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine (CID 11008441) is 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine is COC(OC)C(C)(C)NC(C)C.
What is the InChIKey of 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
The InChIKey is TXNCWSHJRWGNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-7(2)10-9(3,4)8(11-5)12-6/h7-8,10H,1-6H3.
What are the key properties of 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine?
1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 11008441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).