(E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine

C9H20N2O — CID 88690426

IUPAC(E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine
SMILESCOC(C)CNC/C=C/N(C)C
InChIInChI=1S/C9H20N2O/c1-9(12-4)8-10-6-5-7-11(2)3/h5,7,9-10H,6,8H2,1-4H3/b7-5+
InChIKeyWKRKTXMYKZZMBW-FNORWQNLSA-N
MW172.27 g/mol
LogP0.69
Rot. Bonds6

About (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine

(E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine (PubChem CID 88690426) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine
PubChem CID88690426
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine
SMILESCOC(C)CNC/C=C/N(C)C
InChIInChI=1S/C9H20N2O/c1-9(12-4)8-10-6-5-7-11(2)3/h5,7,9-10H,6,8H2,1-4H3/b7-5+
InChIKeyWKRKTXMYKZZMBW-FNORWQNLSA-N
XLogP0.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine (CID 88690426) is (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine is COC(C)CNC/C=C/N(C)C.
What is the InChIKey of (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine?
The InChIKey is WKRKTXMYKZZMBW-FNORWQNLSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(12-4)8-10-6-5-7-11(2)3/h5,7,9-10H,6,8H2,1-4H3/b7-5+.
What are the key properties of (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine?
(E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 88690426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).