N-ethyl-3-morpholin-4-ylpropan-1-amine

C9H20N2O — CID 23009178

IUPACN-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCCNCCCN1CCOCC1
InChIInChI=1S/C9H20N2O/c1-2-10-4-3-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3
InChIKeyZYEXGRIFQOMQNS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds5

About N-ethyl-3-morpholin-4-ylpropan-1-amine

N-ethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 23009178) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID23009178
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCCNCCCN1CCOCC1
InChIInChI=1S/C9H20N2O/c1-2-10-4-3-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3
InChIKeyZYEXGRIFQOMQNS-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-morpholin-4-ylpropan-1-amine (CID 23009178) is N-ethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-morpholin-4-ylpropan-1-amine is CCNCCCN1CCOCC1.
What is the InChIKey of N-ethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is ZYEXGRIFQOMQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-10-4-3-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3.
What are the key properties of N-ethyl-3-morpholin-4-ylpropan-1-amine?
N-ethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 23009178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).