(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine

C6H13NO — CID 5354076

IUPAC(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine
SMILESC/C(CC(C)C)=N\O
InChIInChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+
InChIKeyZKALVNREMFLWAN-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.88
Rot. Bonds2

About (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine

(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine (PubChem CID 5354076) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine
PubChem CID5354076
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine
SMILESC/C(CC(C)C)=N\O
InChIInChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+
InChIKeyZKALVNREMFLWAN-VOTSOKGWSA-N
XLogP1.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.88
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-(4-methylpentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine (CID 5354076) is (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine is C/C(CC(C)C)=N\O.
What is the InChIKey of (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine?
The InChIKey is ZKALVNREMFLWAN-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3/b7-6+.
What are the key properties of (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine?
(NE)-N-(4-methylpentan-2-ylidene)hydroxylamine has a molecular weight of 115.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-methylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 5354076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).