(NE)-N-hexan-2-ylidenehydroxylamine

C6H13NO — CID 5357205

IUPAC(NE)-N-hexan-2-ylidenehydroxylamine
SMILESCCCC/C(C)=N/O
InChIInChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3/b7-6+
InChIKeyWHXCGIRATPOBAY-VOTSOKGWSA-N
MW115.18 g/mol
LogP2.03
Rot. Bonds3

About (NE)-N-hexan-2-ylidenehydroxylamine

(NE)-N-hexan-2-ylidenehydroxylamine (PubChem CID 5357205) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (NE)-N-hexan-2-ylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-hexan-2-ylidenehydroxylamine
PubChem CID5357205
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(NE)-N-hexan-2-ylidenehydroxylamine
SMILESCCCC/C(C)=N/O
InChIInChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3/b7-6+
InChIKeyWHXCGIRATPOBAY-VOTSOKGWSA-N
XLogP2.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 52.03
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-hexan-2-ylidenehydroxylamine?
The IUPAC name of (NE)-N-hexan-2-ylidenehydroxylamine (CID 5357205) is (NE)-N-hexan-2-ylidenehydroxylamine.
What is the SMILES notation for (NE)-N-hexan-2-ylidenehydroxylamine?
The canonical SMILES for (NE)-N-hexan-2-ylidenehydroxylamine is CCCC/C(C)=N/O.
What is the InChIKey of (NE)-N-hexan-2-ylidenehydroxylamine?
The InChIKey is WHXCGIRATPOBAY-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3/b7-6+.
What are the key properties of (NE)-N-hexan-2-ylidenehydroxylamine?
(NE)-N-hexan-2-ylidenehydroxylamine has a molecular weight of 115.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-hexan-2-ylidenehydroxylamine is sourced from PubChem (CID 5357205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).