2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine

C13H28N2O2 — CID 55087909

IUPAC2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CCOC)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-6-7-14-10-12(2)15(8-9-16-4)13(3)11-17-5/h6,12-14H,1,7-11H2,2-5H3
InChIKeyDAAPJAPFZYTWIF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.13
Rot. Bonds11

About 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 55087909) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID55087909
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CCOC)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-6-7-14-10-12(2)15(8-9-16-4)13(3)11-17-5/h6,12-14H,1,7-11H2,2-5H3
InChIKeyDAAPJAPFZYTWIF-UHFFFAOYSA-N
XLogP1.13
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine (CID 55087909) is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(CCOC)C(C)COC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is DAAPJAPFZYTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-7-14-10-12(2)15(8-9-16-4)13(3)11-17-5/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 55087909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).