N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine

C12H27N3O2 — CID 79171784

IUPACN'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCOCCN(CCCN)CC1CN(C)CCO1
InChIInChI=1S/C12H27N3O2/c1-14-6-9-17-12(10-14)11-15(5-3-4-13)7-8-16-2/h12H,3-11,13H2,1-2H3
InChIKeyJHHNEOVNOQXVHM-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.39
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine

N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (PubChem CID 79171784) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
PubChem CID79171784
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCOCCN(CCCN)CC1CN(C)CCO1
InChIInChI=1S/C12H27N3O2/c1-14-6-9-17-12(10-14)11-15(5-3-4-13)7-8-16-2/h12H,3-11,13H2,1-2H3
InChIKeyJHHNEOVNOQXVHM-UHFFFAOYSA-N
XLogP-0.39
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine (CID 79171784) is N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is COCCN(CCCN)CC1CN(C)CCO1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is JHHNEOVNOQXVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-14-6-9-17-12(10-14)11-15(5-3-4-13)7-8-16-2/h12H,3-11,13H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of -0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79171784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).