2-(propan-2-ylideneamino)oxyethanamine

C5H12N2O — CID 58685021

IUPAC2-(propan-2-ylideneamino)oxyethanamine
SMILESCC(C)=NOCCN
InChIInChI=1S/C5H12N2O/c1-5(2)7-8-4-3-6/h3-4,6H2,1-2H3
InChIKeyHTAOLQAEJKGARY-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.36
Rot. Bonds3

About 2-(propan-2-ylideneamino)oxyethanamine

2-(propan-2-ylideneamino)oxyethanamine (PubChem CID 58685021) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(propan-2-ylideneamino)oxyethanamine.

Molecular Properties

Compound Name2-(propan-2-ylideneamino)oxyethanamine
PubChem CID58685021
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-(propan-2-ylideneamino)oxyethanamine
SMILESCC(C)=NOCCN
InChIInChI=1S/C5H12N2O/c1-5(2)7-8-4-3-6/h3-4,6H2,1-2H3
InChIKeyHTAOLQAEJKGARY-UHFFFAOYSA-N
XLogP0.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
3-(propan-2-ylideneamino)oxypropanal
CID 145076965
ethyl 3-(propan-2-ylideneamino)oxypropanoate
CID 15627856
(2S)-2-amino-4-(propan-2-ylideneamino)oxybutanoic acid
CID 129083322
ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine
CID 144576154
2-[(Z)-ethylideneamino]oxyethanamine
CID 158601365
(Z)-but-2-enedioic acid;N,N-dimethyl-2-(propan-2-ylideneamino)oxyethanamine
CID 16641113
ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
CID 145076855
copper;ethane-1,2-diamine;diacetate
CID 160578350
ethane-1,2-diamine;nickel(2+);acetate
CID 23344047
bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylideneamino)oxyethanamine?
The IUPAC name of 2-(propan-2-ylideneamino)oxyethanamine (CID 58685021) is 2-(propan-2-ylideneamino)oxyethanamine.
What is the SMILES notation for 2-(propan-2-ylideneamino)oxyethanamine?
The canonical SMILES for 2-(propan-2-ylideneamino)oxyethanamine is CC(C)=NOCCN.
What is the InChIKey of 2-(propan-2-ylideneamino)oxyethanamine?
The InChIKey is HTAOLQAEJKGARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2)7-8-4-3-6/h3-4,6H2,1-2H3.
What are the key properties of 2-(propan-2-ylideneamino)oxyethanamine?
2-(propan-2-ylideneamino)oxyethanamine has a molecular weight of 116.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylideneamino)oxyethanamine is sourced from PubChem (CID 58685021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).