oxirane;propan-2-amine

C5H13NO — CID 163631422

IUPACoxirane;propan-2-amine
SMILESC1CO1.CC(C)N
InChIInChI=1S/C3H9N.C2H4O/c1-3(2)4;1-2-3-1/h3H,4H2,1-2H3;1-2H2
InChIKeyHWKHOTFUXMYSIU-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.37
Rot. Bonds

About oxirane;propan-2-amine

oxirane;propan-2-amine (PubChem CID 163631422) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is oxirane;propan-2-amine.

Molecular Properties

Compound Nameoxirane;propan-2-amine
PubChem CID163631422
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Nameoxirane;propan-2-amine
SMILESC1CO1.CC(C)N
InChIInChI=1S/C3H9N.C2H4O/c1-3(2)4;1-2-3-1/h3H,4H2,1-2H3;1-2H2
InChIKeyHWKHOTFUXMYSIU-UHFFFAOYSA-N
XLogP0.37
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;propan-2-amine
CID 174699722
2-methyloxetane;propan-2-amine
CID 18626824
1,4-dioxane;propan-2-ol;hydrate
CID 70303390
bis(1,4-dioxane);N-propan-2-ylpropan-2-amine
CID 158831625
beryllium;hydride;propan-2-amine
CID 174791883
propan-2-amine;hydrate;hydrochloride
CID 162153809
potassium;boranuide;propan-2-amine
CID 174884130
methane;2-methylpropane;oxetane
CID 160642963
sodium;1,4,7,10,13,16-hexaoxacyclooctadecane;2-propan-2-yloxypropane
CID 5255430
neon;oxirane
CID 175793141
1,4-dioxane
CID 161483686
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983

Frequently Asked Questions

What is the IUPAC name of oxirane;propan-2-amine?
The IUPAC name of oxirane;propan-2-amine (CID 163631422) is oxirane;propan-2-amine.
What is the SMILES notation for oxirane;propan-2-amine?
The canonical SMILES for oxirane;propan-2-amine is C1CO1.CC(C)N.
What is the InChIKey of oxirane;propan-2-amine?
The InChIKey is HWKHOTFUXMYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H4O/c1-3(2)4;1-2-3-1/h3H,4H2,1-2H3;1-2H2.
What are the key properties of oxirane;propan-2-amine?
oxirane;propan-2-amine has a molecular weight of 103.16 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;propan-2-amine is sourced from PubChem (CID 163631422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).