O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine

C7H15NO — CID 126587144

IUPACO-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine
SMILESC/C(=C\ON)C(C)(C)C
InChIInChI=1S/C7H15NO/c1-6(5-9-8)7(2,3)4/h5H,8H2,1-4H3/b6-5+
InChIKeySNPIAGDHMZFZEI-AATRIKPKSA-N
MW129.20 g/mol
LogP1.83
Rot. Bonds1

About O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine

O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine (PubChem CID 126587144) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine
PubChem CID126587144
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameO-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine
SMILESC/C(=C\ON)C(C)(C)C
InChIInChI=1S/C7H15NO/c1-6(5-9-8)7(2,3)4/h5H,8H2,1-4H3/b6-5+
InChIKeySNPIAGDHMZFZEI-AATRIKPKSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.83
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

(E)-1-hydroperoxy-2,3,3-trimethylbut-1-ene
CID 18637993
O-[(Z)-2-aminoprop-1-enyl]hydroxylamine
CID 144691333
O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine
CID 129140973
(E)-1-chloro-2,3,3-trimethylbut-1-ene
CID 167165936
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
(E)-1-bromo-2,3,3-trimethylbut-1-ene
CID 15737642
(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
CID 134214023
(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
CID 5365072
prop-2-enyl 3,4,4-trimethylpent-2-enoate
CID 123572004
(E)-5,6,6-trimethylhept-4-en-1-amine
CID 144537430
(E)-1-(3-chloropropoxy)-3,4,4-trimethylpent-2-ene
CID 125476331
(2E,4E)-2,5,6,6-tetramethylhepta-2,4-diene-1,3-diamine
CID 142179621

Frequently Asked Questions

What is the IUPAC name of O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine?
The IUPAC name of O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine (CID 126587144) is O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine is C/C(=C\ON)C(C)(C)C.
What is the InChIKey of O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine?
The InChIKey is SNPIAGDHMZFZEI-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(5-9-8)7(2,3)4/h5H,8H2,1-4H3/b6-5+.
What are the key properties of O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine?
O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine has a molecular weight of 129.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine is sourced from PubChem (CID 126587144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).