N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine

C8H17NO — CID 89369722

IUPACN-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine
SMILESC=CCC(CC)CN(C)O
InChIInChI=1S/C8H17NO/c1-4-6-8(5-2)7-9(3)10/h4,8,10H,1,5-7H2,2-3H3
InChIKeyHDWGGLWOOMVDKA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.91
Rot. Bonds5

About N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine

N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine (PubChem CID 89369722) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine
PubChem CID89369722
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine
SMILESC=CCC(CC)CN(C)O
InChIInChI=1S/C8H17NO/c1-4-6-8(5-2)7-9(3)10/h4,8,10H,1,5-7H2,2-3H3
InChIKeyHDWGGLWOOMVDKA-UHFFFAOYSA-N
XLogP1.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine (CID 89369722) is N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine is C=CCC(CC)CN(C)O.
What is the InChIKey of N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine?
The InChIKey is HDWGGLWOOMVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-8(5-2)7-9(3)10/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine?
N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine has a molecular weight of 143.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylpent-4-enyl]-N-methylhydroxylamine is sourced from PubChem (CID 89369722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).