2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine

C12H26N4O — CID 175033745

IUPAC2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine
SMILESCNC(=C(C)OC(C)=C(NC)N(C)C)N(C)C
InChIInChI=1S/C12H26N4O/c1-9(11(13-3)15(5)6)17-10(2)12(14-4)16(7)8/h13-14H,1-8H3
InChIKeyASPJLHXDSBQZEC-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.94
Rot. Bonds6

About 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine

2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine (PubChem CID 175033745) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine
PubChem CID175033745
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine
SMILESCNC(=C(C)OC(C)=C(NC)N(C)C)N(C)C
InChIInChI=1S/C12H26N4O/c1-9(11(13-3)15(5)6)17-10(2)12(14-4)16(7)8/h13-14H,1-8H3
InChIKeyASPJLHXDSBQZEC-UHFFFAOYSA-N
XLogP0.94
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine?
The IUPAC name of 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine (CID 175033745) is 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine.
What is the SMILES notation for 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine?
The canonical SMILES for 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine is CNC(=C(C)OC(C)=C(NC)N(C)C)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine?
The InChIKey is ASPJLHXDSBQZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-9(11(13-3)15(5)6)17-10(2)12(14-4)16(7)8/h13-14H,1-8H3.
What are the key properties of 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine?
2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine has a molecular weight of 242.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-1-(methylamino)prop-1-en-2-yl]oxy-1-N,1-N',1-N'-trimethylprop-1-ene-1,1-diamine is sourced from PubChem (CID 175033745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).