N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine

C12H28N2O — CID 115727472

IUPACN-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
SMILESCCOC(CCN(C)C)CNC(C)CC
InChIInChI=1S/C12H28N2O/c1-6-11(3)13-10-12(15-7-2)8-9-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyUIQYAVRKGYHJSF-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds9

About N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine

N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine (PubChem CID 115727472) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
PubChem CID115727472
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
SMILESCCOC(CCN(C)C)CNC(C)CC
InChIInChI=1S/C12H28N2O/c1-6-11(3)13-10-12(15-7-2)8-9-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyUIQYAVRKGYHJSF-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine (CID 115727472) is N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine is CCOC(CCN(C)C)CNC(C)CC.
What is the InChIKey of N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is UIQYAVRKGYHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-11(3)13-10-12(15-7-2)8-9-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115727472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).