N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine

C12H28N2O2 — CID 103033025

IUPACN'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCC(C)(C)OC
InChIInChI=1S/C12H28N2O2/c1-12(2,16-4)6-9-14(8-5-7-13)10-11-15-3/h5-11,13H2,1-4H3
InChIKeyIJNYELSWFMIJTG-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.10
Rot. Bonds10

About N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine

N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine (PubChem CID 103033025) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
PubChem CID103033025
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
SMILESCOCCN(CCCN)CCC(C)(C)OC
InChIInChI=1S/C12H28N2O2/c1-12(2,16-4)6-9-14(8-5-7-13)10-11-15-3/h5-11,13H2,1-4H3
InChIKeyIJNYELSWFMIJTG-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine (CID 103033025) is N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine is COCCN(CCCN)CCC(C)(C)OC.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The InChIKey is IJNYELSWFMIJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2,16-4)6-9-14(8-5-7-13)10-11-15-3/h5-11,13H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 103033025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).