O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine

C9H19NO — CID 137438706

IUPACO-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine
SMILESCCC/C(=C(/C)ON)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-9(7(2)3)8(4)11-10/h7H,5-6,10H2,1-4H3/b9-8+
InChIKeyMCPQJSFJOGTGJP-CMDGGOBGSA-N
MW157.26 g/mol
LogP2.61
Rot. Bonds4

About O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine

O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine (PubChem CID 137438706) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine
PubChem CID137438706
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameO-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine
SMILESCCC/C(=C(/C)ON)C(C)C
InChIInChI=1S/C9H19NO/c1-5-6-9(7(2)3)8(4)11-10/h7H,5-6,10H2,1-4H3/b9-8+
InChIKeyMCPQJSFJOGTGJP-CMDGGOBGSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[(Z)-4-cyclopropyl-3-ethylhex-2-en-2-yl]hydroxylamine
CID 146530342
O-[(Z)-3,4-dimethylhex-2-en-2-yl]hydroxylamine
CID 155019939
O-(5-ethyl-2,4-dimethylhept-2-en-3-yl)hydroxylamine
CID 156227952
O-[(Z)-2,5-dimethyl-4-propan-2-ylhept-3-en-3-yl]hydroxylamine
CID 167246116
O-[(Z)-3,5-dimethylhex-2-en-2-yl]hydroxylamine
CID 167273790
O-(3,4-dimethylhex-2-en-2-yl)hydroxylamine
CID 174159134

Frequently Asked Questions

What is the IUPAC name of O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine?
The IUPAC name of O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine (CID 137438706) is O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine.
What is the SMILES notation for O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine?
The canonical SMILES for O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine is CCC/C(=C(/C)ON)C(C)C.
What is the InChIKey of O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine?
The InChIKey is MCPQJSFJOGTGJP-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-9(7(2)3)8(4)11-10/h7H,5-6,10H2,1-4H3/b9-8+.
What are the key properties of O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine?
O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine has a molecular weight of 157.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-3-propan-2-ylhex-2-en-2-yl]hydroxylamine is sourced from PubChem (CID 137438706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).