N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine

C16H27N3O — CID 107367226

IUPACN'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
SMILESNCCCN(CCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c17-7-4-8-19(15-16-5-2-1-3-6-16)10-9-18-11-13-20-14-12-18/h1-3,5-6H,4,7-15,17H2
InChIKeyHXMKIIHVKZXGGN-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.17
Rot. Bonds8

About N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine

N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine (PubChem CID 107367226) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
PubChem CID107367226
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
SMILESNCCCN(CCN1CCOCC1)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c17-7-4-8-19(15-16-5-2-1-3-6-16)10-9-18-11-13-20-14-12-18/h1-3,5-6H,4,7-15,17H2
InChIKeyHXMKIIHVKZXGGN-UHFFFAOYSA-N
XLogP1.17
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine (CID 107367226) is N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine is NCCCN(CCN1CCOCC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine?
The InChIKey is HXMKIIHVKZXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c17-7-4-8-19(15-16-5-2-1-3-6-16)10-9-18-11-13-20-14-12-18/h1-3,5-6H,4,7-15,17H2.
What are the key properties of N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine?
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine has a molecular weight of 277.41 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 107367226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).