2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine

C11H26N2O — CID 103033015

IUPAC2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOC(C)(C)CCN(C)C(C)(C)CN
InChIInChI=1S/C11H26N2O/c1-10(2,9-12)13(5)8-7-11(3,4)14-6/h7-9,12H2,1-6H3
InChIKeyOWPHNWPOQFDYNC-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds6

About 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 103033015) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID103033015
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOC(C)(C)CCN(C)C(C)(C)CN
InChIInChI=1S/C11H26N2O/c1-10(2,9-12)13(5)8-7-11(3,4)14-6/h7-9,12H2,1-6H3
InChIKeyOWPHNWPOQFDYNC-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine (CID 103033015) is 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine is COC(C)(C)CCN(C)C(C)(C)CN.
What is the InChIKey of 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is OWPHNWPOQFDYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2,9-12)13(5)8-7-11(3,4)14-6/h7-9,12H2,1-6H3.
What are the key properties of 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxy-3-methylbutyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103033015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).