3-propan-2-yloxirane-2,2,3-triamine

C5H13N3O — CID 163890820

IUPAC3-propan-2-yloxirane-2,2,3-triamine
SMILESCC(C)C1(N)OC1(N)N
InChIInChI=1S/C5H13N3O/c1-3(2)4(6)5(7,8)9-4/h3H,6-8H2,1-2H3
InChIKeyQBJNZMUYHYXEBG-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.10
Rot. Bonds1

About 3-propan-2-yloxirane-2,2,3-triamine

3-propan-2-yloxirane-2,2,3-triamine (PubChem CID 163890820) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-propan-2-yloxirane-2,2,3-triamine.

Molecular Properties

Compound Name3-propan-2-yloxirane-2,2,3-triamine
PubChem CID163890820
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name3-propan-2-yloxirane-2,2,3-triamine
SMILESCC(C)C1(N)OC1(N)N
InChIInChI=1S/C5H13N3O/c1-3(2)4(6)5(7,8)9-4/h3H,6-8H2,1-2H3
InChIKeyQBJNZMUYHYXEBG-UHFFFAOYSA-N
XLogP-1.10
TPSA90.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxirane-2,2,3-triamine?
The IUPAC name of 3-propan-2-yloxirane-2,2,3-triamine (CID 163890820) is 3-propan-2-yloxirane-2,2,3-triamine.
What is the SMILES notation for 3-propan-2-yloxirane-2,2,3-triamine?
The canonical SMILES for 3-propan-2-yloxirane-2,2,3-triamine is CC(C)C1(N)OC1(N)N.
What is the InChIKey of 3-propan-2-yloxirane-2,2,3-triamine?
The InChIKey is QBJNZMUYHYXEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-3(2)4(6)5(7,8)9-4/h3H,6-8H2,1-2H3.
What are the key properties of 3-propan-2-yloxirane-2,2,3-triamine?
3-propan-2-yloxirane-2,2,3-triamine has a molecular weight of 131.18 g/mol, XLogP of -1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxirane-2,2,3-triamine is sourced from PubChem (CID 163890820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).