3-(3-aminopropylamino)morpholin-2-one

C7H15N3O2 — CID 67807352

IUPAC3-(3-aminopropylamino)morpholin-2-one
SMILESNCCCNC1NCCOC1=O
InChIInChI=1S/C7H15N3O2/c8-2-1-3-9-6-7(11)12-5-4-10-6/h6,9-10H,1-5,8H2
InChIKeyPXVFAZIRPAQDIQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.60
Rot. Bonds4

About 3-(3-aminopropylamino)morpholin-2-one

3-(3-aminopropylamino)morpholin-2-one (PubChem CID 67807352) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(3-aminopropylamino)morpholin-2-one.

Molecular Properties

Compound Name3-(3-aminopropylamino)morpholin-2-one
PubChem CID67807352
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name3-(3-aminopropylamino)morpholin-2-one
SMILESNCCCNC1NCCOC1=O
InChIInChI=1S/C7H15N3O2/c8-2-1-3-9-6-7(11)12-5-4-10-6/h6,9-10H,1-5,8H2
InChIKeyPXVFAZIRPAQDIQ-UHFFFAOYSA-N
XLogP-1.60
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-(3-aminopropylamino)morpholin-2-one?
The IUPAC name of 3-(3-aminopropylamino)morpholin-2-one (CID 67807352) is 3-(3-aminopropylamino)morpholin-2-one.
What is the SMILES notation for 3-(3-aminopropylamino)morpholin-2-one?
The canonical SMILES for 3-(3-aminopropylamino)morpholin-2-one is NCCCNC1NCCOC1=O.
What is the InChIKey of 3-(3-aminopropylamino)morpholin-2-one?
The InChIKey is PXVFAZIRPAQDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-2-1-3-9-6-7(11)12-5-4-10-6/h6,9-10H,1-5,8H2.
What are the key properties of 3-(3-aminopropylamino)morpholin-2-one?
3-(3-aminopropylamino)morpholin-2-one has a molecular weight of 173.22 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropylamino)morpholin-2-one is sourced from PubChem (CID 67807352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).