(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine

C13H19NO — CID 6309286

IUPAC(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine
SMILESCC(C)/C(=N\O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO/c1-9(2)11-5-7-12(8-6-11)13(14-15)10(3)4/h5-10,15H,1-4H3/b14-13+
InChIKeyPFQPDLZJPIKAAY-BUHFOSPRSA-N
MW205.30 g/mol
LogP3.64
Rot. Bonds3

About (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine

(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine (PubChem CID 6309286) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine
PubChem CID6309286
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine
SMILESCC(C)/C(=N\O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO/c1-9(2)11-5-7-12(8-6-11)13(14-15)10(3)4/h5-10,15H,1-4H3/b14-13+
InChIKeyPFQPDLZJPIKAAY-BUHFOSPRSA-N
XLogP3.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine (CID 6309286) is (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine is CC(C)/C(=N\O)c1ccc(C(C)C)cc1.
What is the InChIKey of (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine?
The InChIKey is PFQPDLZJPIKAAY-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)11-5-7-12(8-6-11)13(14-15)10(3)4/h5-10,15H,1-4H3/b14-13+.
What are the key properties of (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine?
(NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine has a molecular weight of 205.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-methyl-1-(4-propan-2-ylphenyl)propylidene]hydroxylamine is sourced from PubChem (CID 6309286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).