N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine

C8H19N3O — CID 19420461

IUPACN'-(1-morpholin-4-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN)N1CCOCC1
InChIInChI=1S/C8H19N3O/c1-8(10-3-2-9)11-4-6-12-7-5-11/h8,10H,2-7,9H2,1H3
InChIKeyOHLFXPOCCIBTFF-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.79
Rot. Bonds4

About N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine

N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine (PubChem CID 19420461) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-morpholin-4-ylethyl)ethane-1,2-diamine
PubChem CID19420461
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN'-(1-morpholin-4-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN)N1CCOCC1
InChIInChI=1S/C8H19N3O/c1-8(10-3-2-9)11-4-6-12-7-5-11/h8,10H,2-7,9H2,1H3
InChIKeyOHLFXPOCCIBTFF-UHFFFAOYSA-N
XLogP-0.79
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine (CID 19420461) is N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine is CC(NCCN)N1CCOCC1.
What is the InChIKey of N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is OHLFXPOCCIBTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-8(10-3-2-9)11-4-6-12-7-5-11/h8,10H,2-7,9H2,1H3.
What are the key properties of N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine?
N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 173.26 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 19420461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).