but-2-en-2-yloxymethanamine

C5H11NO — CID 54051343

IUPACbut-2-en-2-yloxymethanamine
SMILESCC=C(C)OCN
InChIInChI=1S/C5H11NO/c1-3-5(2)7-4-6/h3H,4,6H2,1-2H3
InChIKeyPWXDIBQRNVGIAF-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds2

About but-2-en-2-yloxymethanamine

but-2-en-2-yloxymethanamine (PubChem CID 54051343) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is but-2-en-2-yloxymethanamine.

Molecular Properties

Compound Namebut-2-en-2-yloxymethanamine
PubChem CID54051343
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Namebut-2-en-2-yloxymethanamine
SMILESCC=C(C)OCN
InChIInChI=1S/C5H11NO/c1-3-5(2)7-4-6/h3H,4,6H2,1-2H3
InChIKeyPWXDIBQRNVGIAF-UHFFFAOYSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(Z)-but-2-en-2-yl]oxymethanamine
CID 141115606
2-ethoxybut-2-ene;silane
CID 174428196
(E)-2-(3-fluoropropoxy)but-2-ene
CID 142369968
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
1-[(E)-but-2-en-2-yl]oxy-2-chloro-3-methylbutane
CID 154930139
aminomethyl acetate;dihydrochloride
CID 175752598
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
aminomethyl acetate;hydrate
CID 173252999
bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate
CID 171482069
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yloxymethanamine?
The IUPAC name of but-2-en-2-yloxymethanamine (CID 54051343) is but-2-en-2-yloxymethanamine.
What is the SMILES notation for but-2-en-2-yloxymethanamine?
The canonical SMILES for but-2-en-2-yloxymethanamine is CC=C(C)OCN.
What is the InChIKey of but-2-en-2-yloxymethanamine?
The InChIKey is PWXDIBQRNVGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)7-4-6/h3H,4,6H2,1-2H3.
What are the key properties of but-2-en-2-yloxymethanamine?
but-2-en-2-yloxymethanamine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yloxymethanamine is sourced from PubChem (CID 54051343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).