2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

C13H28N2O — CID 63070803

IUPAC2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)C1CCCC(C)C1
InChIInChI=1S/C13H28N2O/c1-4-16-13(9-14)10-15(3)12-7-5-6-11(2)8-12/h11-13H,4-10,14H2,1-3H3
InChIKeyGGJXQBOOHMJPGS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (PubChem CID 63070803) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
PubChem CID63070803
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCCOC(CN)CN(C)C1CCCC(C)C1
InChIInChI=1S/C13H28N2O/c1-4-16-13(9-14)10-15(3)12-7-5-6-11(2)8-12/h11-13H,4-10,14H2,1-3H3
InChIKeyGGJXQBOOHMJPGS-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (CID 63070803) is 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is CCOC(CN)CN(C)C1CCCC(C)C1.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is GGJXQBOOHMJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-16-13(9-14)10-15(3)12-7-5-6-11(2)8-12/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 63070803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).