N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine

C11H23NO — CID 87224669

IUPACN-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine
SMILESCC(C)C(C)C(=NO)C(C)C(C)C
InChIInChI=1S/C11H23NO/c1-7(2)9(5)11(12-13)10(6)8(3)4/h7-10,13H,1-6H3
InChIKeyIGXAXQHBULUZNQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.40
Rot. Bonds4

About N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine

N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine (PubChem CID 87224669) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine
PubChem CID87224669
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine
SMILESCC(C)C(C)C(=NO)C(C)C(C)C
InChIInChI=1S/C11H23NO/c1-7(2)9(5)11(12-13)10(6)8(3)4/h7-10,13H,1-6H3
InChIKeyIGXAXQHBULUZNQ-UHFFFAOYSA-N
XLogP3.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.40
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 N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine?
The IUPAC name of N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine (CID 87224669) is N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine is CC(C)C(C)C(=NO)C(C)C(C)C.
What is the InChIKey of N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine?
The InChIKey is IGXAXQHBULUZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7(2)9(5)11(12-13)10(6)8(3)4/h7-10,13H,1-6H3.
What are the key properties of N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine?
N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine has a molecular weight of 185.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetramethylheptan-4-ylidene)hydroxylamine is sourced from PubChem (CID 87224669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).