O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine

C8H16N2O — CID 89146914

IUPACO-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine
SMILESC=C(N)/C=C(\ON)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-6(9)5-7(11-10)8(2,3)4/h5H,1,9-10H2,2-4H3/b7-5-
InChIKeyJQFIJBHNJXBLSV-ALCCZGGFSA-N
MW156.23 g/mol
LogP1.28
Rot. Bonds2

About O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine

O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine (PubChem CID 89146914) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine
PubChem CID89146914
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameO-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine
SMILESC=C(N)/C=C(\ON)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-6(9)5-7(11-10)8(2,3)4/h5H,1,9-10H2,2-4H3/b7-5-
InChIKeyJQFIJBHNJXBLSV-ALCCZGGFSA-N
XLogP1.28
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine?
The IUPAC name of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine (CID 89146914) is O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine.
What is the SMILES notation for O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine?
The canonical SMILES for O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine is C=C(N)/C=C(\ON)C(C)(C)C.
What is the InChIKey of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine?
The InChIKey is JQFIJBHNJXBLSV-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)5-7(11-10)8(2,3)4/h5H,1,9-10H2,2-4H3/b7-5-.
What are the key properties of O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine?
O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine has a molecular weight of 156.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-yl]hydroxylamine is sourced from PubChem (CID 89146914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).