(Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium

C8H18NO+ — CID 126561591

IUPAC(Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium
SMILESCC(C)/C=[N+](\O)C(C)(C)C
InChIInChI=1S/C8H18NO/c1-7(2)6-9(10)8(3,4)5/h6-7,10H,1-5H3/q+1/b9-6-
InChIKeyKEFPBCKRUVYHDL-TWGQIWQCSA-N
MW144.24 g/mol
LogP1.91
Rot. Bonds1

About (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium

(Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium (PubChem CID 126561591) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium.

Molecular Properties

Compound Name(Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium
PubChem CID126561591
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name(Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium
SMILESCC(C)/C=[N+](\O)C(C)(C)C
InChIInChI=1S/C8H18NO/c1-7(2)6-9(10)8(3,4)5/h6-7,10H,1-5H3/q+1/b9-6-
InChIKeyKEFPBCKRUVYHDL-TWGQIWQCSA-N
XLogP1.91
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium?
The IUPAC name of (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium (CID 126561591) is (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium.
What is the SMILES notation for (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium?
The canonical SMILES for (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium is CC(C)/C=[N+](\O)C(C)(C)C.
What is the InChIKey of (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium?
The InChIKey is KEFPBCKRUVYHDL-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H18NO/c1-7(2)6-9(10)8(3,4)5/h6-7,10H,1-5H3/q+1/b9-6-.
What are the key properties of (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium?
(Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium has a molecular weight of 144.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-tert-butyl-hydroxy-(2-methylpropylidene)azanium is sourced from PubChem (CID 126561591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).