1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

C12H28N2O — CID 167500760

IUPAC1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C)C(COC)CN(CC)C(C)C
InChIInChI=1S/C12H28N2O/c1-7-13(5)12(10-15-6)9-14(8-2)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyBTUVKESKGTZWFD-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.68
Rot. Bonds8

About 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine

1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 167500760) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID167500760
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C)C(COC)CN(CC)C(C)C
InChIInChI=1S/C12H28N2O/c1-7-13(5)12(10-15-6)9-14(8-2)11(3)4/h11-12H,7-10H2,1-6H3
InChIKeyBTUVKESKGTZWFD-UHFFFAOYSA-N
XLogP1.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine (CID 167500760) is 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is CCN(C)C(COC)CN(CC)C(C)C.
What is the InChIKey of 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is BTUVKESKGTZWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-7-13(5)12(10-15-6)9-14(8-2)11(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine?
1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 167500760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).