2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene

C11H26N2O — CID 91382797

IUPAC2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene
SMILESC=C.CCN(CC)CN(C)C(C)CO
InChIInChI=1S/C9H22N2O.C2H4/c1-5-11(6-2)8-10(4)9(3)7-12;1-2/h9,12H,5-8H2,1-4H3;1-2H2
InChIKeySUILRGCELWJRBX-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.40
Rot. Bonds6

About 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene

2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene (PubChem CID 91382797) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene.

Molecular Properties

Compound Name2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene
PubChem CID91382797
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene
SMILESC=C.CCN(CC)CN(C)C(C)CO
InChIInChI=1S/C9H22N2O.C2H4/c1-5-11(6-2)8-10(4)9(3)7-12;1-2/h9,12H,5-8H2,1-4H3;1-2H2
InChIKeySUILRGCELWJRBX-UHFFFAOYSA-N
XLogP1.40
TPSA26.71 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene?
The IUPAC name of 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene (CID 91382797) is 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene.
What is the SMILES notation for 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene?
The canonical SMILES for 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene is C=C.CCN(CC)CN(C)C(C)CO.
What is the InChIKey of 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene?
The InChIKey is SUILRGCELWJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O.C2H4/c1-5-11(6-2)8-10(4)9(3)7-12;1-2/h9,12H,5-8H2,1-4H3;1-2H2.
What are the key properties of 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene?
2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene has a molecular weight of 202.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethylaminomethyl(methyl)amino]propan-1-ol;ethene is sourced from PubChem (CID 91382797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).