methanamine;2-methyloxirane;pentan-2-ol

C9H23NO2 — CID 159958720

IUPACmethanamine;2-methyloxirane;pentan-2-ol
SMILESCC1CO1.CCCC(C)O.CN
InChIInChI=1S/C5H12O.C3H6O.CH5N/c1-3-4-5(2)6;1-3-2-4-3;1-2/h5-6H,3-4H2,1-2H3;3H,2H2,1H3;2H2,1H3
InChIKeyODAVNUYKMRAMIC-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.15
Rot. Bonds2

About methanamine;2-methyloxirane;pentan-2-ol

methanamine;2-methyloxirane;pentan-2-ol (PubChem CID 159958720) has the molecular formula C9H23NO2 and a molecular weight of 177.29 g/mol. Its IUPAC name is methanamine;2-methyloxirane;pentan-2-ol.

Molecular Properties

Compound Namemethanamine;2-methyloxirane;pentan-2-ol
PubChem CID159958720
Molecular FormulaC9H23NO2
Molecular Weight177.29 g/mol
Exact Mass177.17
IUPAC Namemethanamine;2-methyloxirane;pentan-2-ol
SMILESCC1CO1.CCCC(C)O.CN
InChIInChI=1S/C5H12O.C3H6O.CH5N/c1-3-4-5(2)6;1-3-2-4-3;1-2/h5-6H,3-4H2,1-2H3;3H,2H2,1H3;2H2,1H3
InChIKeyODAVNUYKMRAMIC-UHFFFAOYSA-N
XLogP1.15
TPSA58.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-2-ol;2-methyloxirane
CID 161079441
(2R)-pentan-2-ol
CID 7014876
cyclohexane;pentan-2-ol
CID 67677243
bis(2-methyloxirane);(2R)-propane-1,2-diol;hydrate
CID 159169454
ethanamine;1-(ethylamino)propan-2-ol;2-methyloxirane
CID 161310454
CID 159971751
CID 159971751
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
hexan-2-ol;pentan-2-ol
CID 88680973
2-methyloxirane;oxirane;propan-2-ol
CID 22467713
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
CID 19898407
2-methylbutan-2-ol;pentan-2-ol
CID 157230462

Frequently Asked Questions

What is the IUPAC name of methanamine;2-methyloxirane;pentan-2-ol?
The IUPAC name of methanamine;2-methyloxirane;pentan-2-ol (CID 159958720) is methanamine;2-methyloxirane;pentan-2-ol.
What is the SMILES notation for methanamine;2-methyloxirane;pentan-2-ol?
The canonical SMILES for methanamine;2-methyloxirane;pentan-2-ol is CC1CO1.CCCC(C)O.CN.
What is the InChIKey of methanamine;2-methyloxirane;pentan-2-ol?
The InChIKey is ODAVNUYKMRAMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C3H6O.CH5N/c1-3-4-5(2)6;1-3-2-4-3;1-2/h5-6H,3-4H2,1-2H3;3H,2H2,1H3;2H2,1H3.
What are the key properties of methanamine;2-methyloxirane;pentan-2-ol?
methanamine;2-methyloxirane;pentan-2-ol has a molecular weight of 177.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methyloxirane;pentan-2-ol is sourced from PubChem (CID 159958720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).