N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine

C9H19NO — CID 5048472

IUPACN-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine
SMILESCC(C)(C)C(=NO)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)7(10-11)9(4,5)6/h11H,1-6H3
InChIKeyBJXJCAMLWINIQS-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.91
Rot. Bonds

About N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine

N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine (PubChem CID 5048472) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine
PubChem CID5048472
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine
SMILESCC(C)(C)C(=NO)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2,3)7(10-11)9(4,5)6/h11H,1-6H3
InChIKeyBJXJCAMLWINIQS-UHFFFAOYSA-N
XLogP2.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.91
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-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine?
The IUPAC name of N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine (CID 5048472) is N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine is CC(C)(C)C(=NO)C(C)(C)C.
What is the InChIKey of N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine?
The InChIKey is BJXJCAMLWINIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)7(10-11)9(4,5)6/h11H,1-6H3.
What are the key properties of N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine?
N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine has a molecular weight of 157.26 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine is sourced from PubChem (CID 5048472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).