1,3-oxazolidine-2,2-diamine

C3H9N3O — CID 67002086

IUPAC1,3-oxazolidine-2,2-diamine
SMILESNC1(N)NCCO1
InChIInChI=1S/C3H9N3O/c4-3(5)6-1-2-7-3/h6H,1-2,4-5H2
InChIKeyNMOLVXDQYHGBQD-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.87
Rot. Bonds

About 1,3-oxazolidine-2,2-diamine

1,3-oxazolidine-2,2-diamine (PubChem CID 67002086) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 1,3-oxazolidine-2,2-diamine.

Molecular Properties

Compound Name1,3-oxazolidine-2,2-diamine
PubChem CID67002086
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name1,3-oxazolidine-2,2-diamine
SMILESNC1(N)NCCO1
InChIInChI=1S/C3H9N3O/c4-3(5)6-1-2-7-3/h6H,1-2,4-5H2
InChIKeyNMOLVXDQYHGBQD-UHFFFAOYSA-N
XLogP-1.87
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2,2-diamine?
The IUPAC name of 1,3-oxazolidine-2,2-diamine (CID 67002086) is 1,3-oxazolidine-2,2-diamine.
What is the SMILES notation for 1,3-oxazolidine-2,2-diamine?
The canonical SMILES for 1,3-oxazolidine-2,2-diamine is NC1(N)NCCO1.
What is the InChIKey of 1,3-oxazolidine-2,2-diamine?
The InChIKey is NMOLVXDQYHGBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c4-3(5)6-1-2-7-3/h6H,1-2,4-5H2.
What are the key properties of 1,3-oxazolidine-2,2-diamine?
1,3-oxazolidine-2,2-diamine has a molecular weight of 103.12 g/mol, XLogP of -1.87, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2,2-diamine is sourced from PubChem (CID 67002086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).