(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine

C9H12N2O — CID 134168250

IUPAC(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine
SMILESCC(C)c1ncccc1/C=N/O
InChIInChI=1S/C9H12N2O/c1-7(2)9-8(6-11-12)4-3-5-10-9/h3-7,12H,1-2H3/b11-6+
InChIKeyXDQXSQAMQDEQMN-IZZDOVSWSA-N
MW164.21 g/mol
LogP2.01
Rot. Bonds2

About (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine

(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 134168250) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID134168250
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine
SMILESCC(C)c1ncccc1/C=N/O
InChIInChI=1S/C9H12N2O/c1-7(2)9-8(6-11-12)4-3-5-10-9/h3-7,12H,1-2H3/b11-6+
InChIKeyXDQXSQAMQDEQMN-IZZDOVSWSA-N
XLogP2.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine
CID 142575037
(NE)-N-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 162652329
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
CID 137218431
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
CID 11805473
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
3-(fluoromethyl)-2-propan-2-ylpyridine
CID 147644116
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
CID 20711802
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine (CID 134168250) is (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine is CC(C)c1ncccc1/C=N/O.
What is the InChIKey of (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is XDQXSQAMQDEQMN-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(2)9-8(6-11-12)4-3-5-10-9/h3-7,12H,1-2H3/b11-6+.
What are the key properties of (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine?
(NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 164.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-propan-2-yl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 134168250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).