(NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine

C13H19NO — CID 5414920

IUPAC(NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine
SMILESCC/C(CC(C)(C)c1ccccc1)=N\O
InChIInChI=1S/C13H19NO/c1-4-12(14-15)10-13(2,3)11-8-6-5-7-9-11/h5-9,15H,4,10H2,1-3H3/b14-12+
InChIKeyYMWBYYZCUUFDSY-WYMLVPIESA-N
MW205.30 g/mol
LogP3.59
Rot. Bonds4

About (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine

(NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine (PubChem CID 5414920) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine
PubChem CID5414920
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine
SMILESCC/C(CC(C)(C)c1ccccc1)=N\O
InChIInChI=1S/C13H19NO/c1-4-12(14-15)10-13(2,3)11-8-6-5-7-9-11/h5-9,15H,4,10H2,1-3H3/b14-12+
InChIKeyYMWBYYZCUUFDSY-WYMLVPIESA-N
XLogP3.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.59
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'}

Analyze (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine (CID 5414920) is (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine is CC/C(CC(C)(C)c1ccccc1)=N\O.
What is the InChIKey of (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine?
The InChIKey is YMWBYYZCUUFDSY-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NO/c1-4-12(14-15)10-13(2,3)11-8-6-5-7-9-11/h5-9,15H,4,10H2,1-3H3/b14-12+.
What are the key properties of (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine?
(NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine has a molecular weight of 205.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-methyl-5-phenylhexan-3-ylidene)hydroxylamine is sourced from PubChem (CID 5414920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).