N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

C12H18N2O — CID 54669839

IUPACN-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1cccc(CC)n1
InChIInChI=1S/C12H18N2O/c1-5-11-7-6-8-12(13-11)14(15)10(4)9(2)3/h6-8,10,15H,2,5H2,1,3-4H3
InChIKeyRYGKPJOVKPFBCO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.80
Rot. Bonds4

About N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine

N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (PubChem CID 54669839) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
PubChem CID54669839
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1cccc(CC)n1
InChIInChI=1S/C12H18N2O/c1-5-11-7-6-8-12(13-11)14(15)10(4)9(2)3/h6-8,10,15H,2,5H2,1,3-4H3
InChIKeyRYGKPJOVKPFBCO-UHFFFAOYSA-N
XLogP2.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The IUPAC name of N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine (CID 54669839) is N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine.
What is the SMILES notation for N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The canonical SMILES for N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is C=C(C)C(C)N(O)c1cccc(CC)n1.
What is the InChIKey of N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
The InChIKey is RYGKPJOVKPFBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-11-7-6-8-12(13-11)14(15)10(4)9(2)3/h6-8,10,15H,2,5H2,1,3-4H3.
What are the key properties of N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine?
N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine has a molecular weight of 206.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-pyridinyl)-N-(3-methylbut-3-en-2-yl)hydroxylamine is sourced from PubChem (CID 54669839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).