N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine

C11H16N2O — CID 54757536

IUPACN-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1cc(C)ccn1
InChIInChI=1S/C11H16N2O/c1-8(2)10(4)13(14)11-7-9(3)5-6-12-11/h5-7,10,14H,1H2,2-4H3
InChIKeySYEYMWDNAQECHI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.55
Rot. Bonds3

About N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine

N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine (PubChem CID 54757536) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine
PubChem CID54757536
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine
SMILESC=C(C)C(C)N(O)c1cc(C)ccn1
InChIInChI=1S/C11H16N2O/c1-8(2)10(4)13(14)11-7-9(3)5-6-12-11/h5-7,10,14H,1H2,2-4H3
InChIKeySYEYMWDNAQECHI-UHFFFAOYSA-N
XLogP2.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.55
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-(4-methyl-2-pyridinyl)hydroxylamine?
The IUPAC name of N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine (CID 54757536) is N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine.
What is the SMILES notation for N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine?
The canonical SMILES for N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine is C=C(C)C(C)N(O)c1cc(C)ccn1.
What is the InChIKey of N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine?
The InChIKey is SYEYMWDNAQECHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)10(4)13(14)11-7-9(3)5-6-12-11/h5-7,10,14H,1H2,2-4H3.
What are the key properties of N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine?
N-(3-methylbut-3-en-2-yl)-N-(4-methyl-2-pyridinyl)hydroxylamine has a molecular weight of 192.26 g/mol, XLogP of 2.55, 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-(4-methyl-2-pyridinyl)hydroxylamine is sourced from PubChem (CID 54757536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).