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

C13H32N2O — CID 170595450

IUPACethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCC.CC.CCNCCCN1CCOCC1
InChIInChI=1S/C9H20N2O.2C2H6/c1-2-10-4-3-5-11-6-8-12-9-7-11;2*1-2/h10H,2-9H2,1H3;2*1-2H3
InChIKeyYLVCEJGDWGNYMY-UHFFFAOYSA-N
MW232.41 g/mol
LogP2.37
Rot. Bonds5

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

ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 170595450) has the molecular formula C13H32N2O and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID170595450
Molecular FormulaC13H32N2O
Molecular Weight232.41 g/mol
Exact Mass232.25
IUPAC Nameethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCC.CC.CCNCCCN1CCOCC1
InChIInChI=1S/C9H20N2O.2C2H6/c1-2-10-4-3-5-11-6-8-12-9-7-11;2*1-2/h10H,2-9H2,1H3;2*1-2H3
InChIKeyYLVCEJGDWGNYMY-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 52.37
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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Related Compounds

N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine
CID 62309941
N-ethyl-3-(3-morpholin-4-ylpropylamino)propanamide
CID 55024787
2-methyl-1-(3-morpholin-4-ylpropylamino)propan-2-ol
CID 60886953
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
5-(3-morpholin-4-ylpropylamino)pentan-1-ol
CID 62227528
4-(3-morpholin-4-ylpropylamino)butanenitrile
CID 43236907
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
butane;4-butylmorpholine
CID 177152600
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
ethane;4-propylmorpholine
CID 143004992

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine (CID 170595450) is ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine is CC.CC.CCNCCCN1CCOCC1.
What is the InChIKey of ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is YLVCEJGDWGNYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2C2H6/c1-2-10-4-3-5-11-6-8-12-9-7-11;2*1-2/h10H,2-9H2,1H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine?
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 232.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 170595450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).