2-morpholin-4-ylpropan-1-amine

C7H16N2O — CID 16641454

IUPAC2-morpholin-4-ylpropan-1-amine
SMILESCC(CN)N1CCOCC1
InChIInChI=1S/C7H16N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
InChIKeyPKTHUBCDDJVKKA-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.33
Rot. Bonds2

About 2-morpholin-4-ylpropan-1-amine

2-morpholin-4-ylpropan-1-amine (PubChem CID 16641454) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-morpholin-4-ylpropan-1-amine
PubChem CID16641454
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-morpholin-4-ylpropan-1-amine
SMILESCC(CN)N1CCOCC1
InChIInChI=1S/C7H16N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
InChIKeyPKTHUBCDDJVKKA-UHFFFAOYSA-N
XLogP-0.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 2-morpholin-4-ylpropan-1-amine (CID 16641454) is 2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-morpholin-4-ylpropan-1-amine is CC(CN)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpropan-1-amine?
The InChIKey is PKTHUBCDDJVKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3.
What are the key properties of 2-morpholin-4-ylpropan-1-amine?
2-morpholin-4-ylpropan-1-amine has a molecular weight of 144.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 16641454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).