oxane-2,2,3-triamine

C5H13N3O — CID 151620994

IUPACoxane-2,2,3-triamine
SMILESNC1CCCOC1(N)N
InChIInChI=1S/C5H13N3O/c6-4-2-1-3-9-5(4,7)8/h4H,1-3,6-8H2
InChIKeyQOMUOHJWHRKIMQ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.30
Rot. Bonds

About oxane-2,2,3-triamine

oxane-2,2,3-triamine (PubChem CID 151620994) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is oxane-2,2,3-triamine.

Molecular Properties

Compound Nameoxane-2,2,3-triamine
PubChem CID151620994
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Nameoxane-2,2,3-triamine
SMILESNC1CCCOC1(N)N
InChIInChI=1S/C5H13N3O/c6-4-2-1-3-9-5(4,7)8/h4H,1-3,6-8H2
InChIKeyQOMUOHJWHRKIMQ-UHFFFAOYSA-N
XLogP-1.30
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.30
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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Related Compounds

(8S)-4-oxaspiro[2.5]octan-8-amine
CID 162523670
6-oxaspiro[4.5]decan-10-amine
CID 121318257
3-(hydroxymethyl)oxane-2,2-diol
CID 130129781
4-(3-amino-2-methyloxan-2-yl)phenol
CID 15643838
2,2,3-triethyloxane
CID 154383449
1,3-dioxepane-2,2-diamine
CID 22008226
1-oxaspiro[4.5]decan-8-amine
CID 67070405
spiro[5.6]dodecan-12-amine
CID 15021866
2,2-dimethyloxolan-3-amine
CID 59657974
1,2-diaminocyclopentan-1-ol
CID 22410822
1-(2,2-dimethyloxan-3-yl)propan-2-one
CID 14027507
3-oxaspiro[5.5]undecan-11-amine
CID 83905754

Frequently Asked Questions

What is the IUPAC name of oxane-2,2,3-triamine?
The IUPAC name of oxane-2,2,3-triamine (CID 151620994) is oxane-2,2,3-triamine.
What is the SMILES notation for oxane-2,2,3-triamine?
The canonical SMILES for oxane-2,2,3-triamine is NC1CCCOC1(N)N.
What is the InChIKey of oxane-2,2,3-triamine?
The InChIKey is QOMUOHJWHRKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c6-4-2-1-3-9-5(4,7)8/h4H,1-3,6-8H2.
What are the key properties of oxane-2,2,3-triamine?
oxane-2,2,3-triamine has a molecular weight of 131.18 g/mol, XLogP of -1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-2,2,3-triamine is sourced from PubChem (CID 151620994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).