N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine

C14H28N4O — CID 106582043

IUPACN-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
SMILESCCN(C)CC(CNc1nc(C)cn1C(C)C)OC
InChIInChI=1S/C14H28N4O/c1-7-17(5)10-13(19-6)8-15-14-16-12(4)9-18(14)11(2)3/h9,11,13H,7-8,10H2,1-6H3,(H,15,16)
InChIKeyXJSLYVYPMMIBKW-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.15
Rot. Bonds8

About N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine

N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine (PubChem CID 106582043) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
PubChem CID106582043
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
SMILESCCN(C)CC(CNc1nc(C)cn1C(C)C)OC
InChIInChI=1S/C14H28N4O/c1-7-17(5)10-13(19-6)8-15-14-16-12(4)9-18(14)11(2)3/h9,11,13H,7-8,10H2,1-6H3,(H,15,16)
InChIKeyXJSLYVYPMMIBKW-UHFFFAOYSA-N
XLogP2.15
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine (CID 106582043) is N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine is CCN(C)CC(CNc1nc(C)cn1C(C)C)OC.
What is the InChIKey of N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
The InChIKey is XJSLYVYPMMIBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-7-17(5)10-13(19-6)8-15-14-16-12(4)9-18(14)11(2)3/h9,11,13H,7-8,10H2,1-6H3,(H,15,16).
What are the key properties of N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-methyl-N'-(4-methyl-1-propan-2-ylimidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 106582043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).