N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine

C14H16N2O — CID 54757425

IUPACN-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine
SMILESC=C(C)C(C)N(O)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-10(2)11(3)16(17)14-9-8-12-6-4-5-7-13(12)15-14/h4-9,11,17H,1H2,2-3H3
InChIKeyOZPQZRYNHHVXPB-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.39
Rot. Bonds3

About N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine

N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine (PubChem CID 54757425) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine.

Molecular Properties

Compound NameN-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine
PubChem CID54757425
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine
SMILESC=C(C)C(C)N(O)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O/c1-10(2)11(3)16(17)14-9-8-12-6-4-5-7-13(12)15-14/h4-9,11,17H,1H2,2-3H3
InChIKeyOZPQZRYNHHVXPB-UHFFFAOYSA-N
XLogP3.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.39
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-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine?
The IUPAC name of N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine (CID 54757425) is N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine.
What is the SMILES notation for N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine?
The canonical SMILES for N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine is C=C(C)C(C)N(O)c1ccc2ccccc2n1.
What is the InChIKey of N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine?
The InChIKey is OZPQZRYNHHVXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)11(3)16(17)14-9-8-12-6-4-5-7-13(12)15-14/h4-9,11,17H,1H2,2-3H3.
What are the key properties of N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine?
N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine has a molecular weight of 228.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-en-2-yl)-N-quinolin-2-ylhydroxylamine is sourced from PubChem (CID 54757425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).