N-[(Z)-but-2-enoxy]methanamine

C5H11NO — CID 147128663

IUPACN-[(Z)-but-2-enoxy]methanamine
SMILESC/C=C\CONC
InChIInChI=1S/C5H11NO/c1-3-4-5-7-6-2/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyBPTXABYASAYWMI-ARJAWSKDSA-N
MW101.15 g/mol
LogP0.71
Rot. Bonds3

About N-[(Z)-but-2-enoxy]methanamine

N-[(Z)-but-2-enoxy]methanamine (PubChem CID 147128663) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-[(Z)-but-2-enoxy]methanamine.

Molecular Properties

Compound NameN-[(Z)-but-2-enoxy]methanamine
PubChem CID147128663
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-[(Z)-but-2-enoxy]methanamine
SMILESC/C=C\CONC
InChIInChI=1S/C5H11NO/c1-3-4-5-7-6-2/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyBPTXABYASAYWMI-ARJAWSKDSA-N
XLogP0.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-enoxyprop-2-yn-1-amine
CID 54524941
1-ethenoxybut-2-ene
CID 54206132
N-[(E)-but-2-enoxy]-1-phenylmethanamine
CID 100914451
1-prop-1-enoxybut-2-ene
CID 21944
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
but-2-enoxy(trimethyl)silane
CID 554664
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
CID 87839442
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
2-but-2-enoxy-N,3-dimethylbutan-1-amine
CID 76943471
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
1,6-bis(but-2-enoxy)hexane
CID 173425920
3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enoxy]methanamine?
The IUPAC name of N-[(Z)-but-2-enoxy]methanamine (CID 147128663) is N-[(Z)-but-2-enoxy]methanamine.
What is the SMILES notation for N-[(Z)-but-2-enoxy]methanamine?
The canonical SMILES for N-[(Z)-but-2-enoxy]methanamine is C/C=C\CONC.
What is the InChIKey of N-[(Z)-but-2-enoxy]methanamine?
The InChIKey is BPTXABYASAYWMI-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-4-5-7-6-2/h3-4,6H,5H2,1-2H3/b4-3-.
What are the key properties of N-[(Z)-but-2-enoxy]methanamine?
N-[(Z)-but-2-enoxy]methanamine has a molecular weight of 101.15 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enoxy]methanamine is sourced from PubChem (CID 147128663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).