2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine

C11H25NO2 — CID 58454385

IUPAC2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCOCC(CN(C(C)C)C(C)C)OC
InChIInChI=1S/C11H25NO2/c1-9(2)12(10(3)4)7-11(14-6)8-13-5/h9-11H,7-8H2,1-6H3
InChIKeyDEKJHCTWNDYNJN-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.77
Rot. Bonds7

About 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine

2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 58454385) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine
PubChem CID58454385
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCOCC(CN(C(C)C)C(C)C)OC
InChIInChI=1S/C11H25NO2/c1-9(2)12(10(3)4)7-11(14-6)8-13-5/h9-11H,7-8H2,1-6H3
InChIKeyDEKJHCTWNDYNJN-UHFFFAOYSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine (CID 58454385) is 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine is COCC(CN(C(C)C)C(C)C)OC.
What is the InChIKey of 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is DEKJHCTWNDYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)12(10(3)4)7-11(14-6)8-13-5/h9-11H,7-8H2,1-6H3.
What are the key properties of 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine?
2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 58454385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).